SCHEMBL13765749

SCHEMBL13765749

Clc1nc(-c2ccccc2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.62
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 1/20 0.46
CYP1A2 P05177 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APEX1 P27695 1/20 0.44
PI4KA P42356 1/20 0.44
BLM P54132 1/20 0.44
ADCY1 Q08828 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14248883 0.89 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL3025868 0.89 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL3029027 0.89 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14249516 0.88 YTHDC1 (0.57) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14249352 0.86 YTHDC1 (0.57) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14250027 0.86 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14296940 0.86 YTHDC1 (0.60) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL3009710 0.85 YTHDC1 (0.56) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14248919 0.85 YTHDC1 (0.58) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL14249763 0.84 YTHDC1 (0.58) YTHDC1NPC1RAB9ASMN1; SMN2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456580-B Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof 科罗拉多州立大学董事会法人团体 2020-09-04 CN disclosed
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 US disclosed
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 US disclosed
US-9840520-B2 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-12-12 US disclosed
US-9840520-B2 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-12-12 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
EP-3142652-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF The Regents of the University of Colorado, a body corporate (US) 2017-03-22 EP disclosed
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P YTHDC1 1015/4885NPC1 2983/4885RAB9A 2534/4885
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 YTHDC1 3923/4885NPC1 2487/4885RAB9A 3465/4885
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 YTHDC1 3923/4885NPC1 2487/4885RAB9A 3465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.