SCHEMBL18656901

SCHEMBL18656901

Clc1nc(-c2ccccc2)c2ncn(PI)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 2/20 0.44
YTHDC1 Q96MU7 1/20 0.36
MAPT P10636 1/20 0.35
CDK1 P06493 2/20 0.35
P2RX7 Q99572 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NT5E P21589 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL31042997 0.78 CDK1 (0.56) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL19928505 0.77 LMNA (0.42) ALDH1A1LMNAYTHDC1MAPTCDK1
SCHEMBL22587405 0.74 CDK1 (0.58) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL12014939 0.70 KDM4E (0.68) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL26315304 0.69 CYP2D6 (0.50) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL18656910 0.68 YTHDC1 (0.44) YTHDC1CDK1ADORA1
SCHEMBL19873008 0.68 NT5E (0.39) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL13765749 0.66 YTHDC1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2YTHDC1
SCHEMBL19439403 0.65 PI4KA (0.50) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL23009764 0.64 KDM4E (0.71) ALDH1A1KDM4EHPGDLMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (2 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-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 ALDH1A1 3027/4885KDM4E 1702/4885HPGD 1298/4885
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 ALDH1A1 3027/4885KDM4E 1702/4885HPGD 1298/4885

“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.