SCHEMBL18205175

SCHEMBL18205175

N=C(NO)c1ccc(C(=O)O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
KDM4E B2RXH2 4/20 0.39
PTK2B Q14289 1/20 0.38
HSD17B10 Q99714 2/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
GAA P10253 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL14645588 0.86 EPHX2 (0.43) LMNAMAPK1HTTRAB9AHDAC1
SCHEMBL4392531 0.82 KDM4E (0.49) LMNAHTTHDAC1HDAC6KDM4E
SCHEMBL18205229 0.81 MYC (0.45) HDAC1HDAC6KDM4EHSD17B10EPHX2
SCHEMBL460421 0.79 LMNA (0.55) LMNAMAPK1HTTRAB9AKDM4E
SCHEMBL20608785 0.79 HDAC1 (0.43) LMNAHDAC1HDAC6EPHX2GAA
Hydrochloric Acid SCHEMBL4957114 0.77 LMNA (0.53) LMNAMAPK1HTTRAB9AKDM4E
Hydrochloric Acid SCHEMBL26689957 0.77 LMNA (0.53) LMNAMAPK1HTTRAB9AKDM4E
SCHEMBL2229575 0.76 SIRT5 (0.41) RAB9AHDAC1HDAC6KDM4EPTK2B
SCHEMBL194112 0.76 CES2 (0.52) RAB9AKDM4EGAACES2CES1
SCHEMBL4096988 0.76 ALDH1A1 (0.45) LMNAMAPK1HTTRAB9AHDAC1

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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
US-20160333001-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-17 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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 (4 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-20160333001-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 LMNA 468/4885MAPK1 3407/4885HTT 2619/4885
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 LMNA 468/4885MAPK1 3407/4885HTT 2619/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 LMNA 468/4885MAPK1 3407/4885HTT 2619/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 LMNA 468/4885MAPK1 3407/4885HTT 2619/4885

“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.