SCHEMBL2592397

SCHEMBL2592397

Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
POLB P06746 3/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 5/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPT P10636 5/20 0.56
THRB P10828 1/20 0.56
PKM P14618 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GLA P06280 1/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
BLM P54132 2/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A1 P04798 1/20 0.53

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
SCHEMBL19555085 0.78 MAPK8 (0.66) MAPTADORA2BSLC9A1
SCHEMBL17825072 0.76 PARG (0.60) SLC9A1
SCHEMBL6363131 0.76 MAPK8 (0.64) TSHRKMT2AHTTALDH1A1HSD17B10
SCHEMBL17241694 0.75 TSHR (0.85) TSHRMEN1KMT2APOLBHTT
SCHEMBL17241596 0.74 TSHR (0.62) TSHRMEN1KMT2APOLBALDH1A1
SCHEMBL6509732 0.74 MEN1 (0.60) TSHRMEN1KMT2AMAPTTHRB
SCHEMBL5039317 0.74 ERCC1 (0.57) TSHRHTTALDH1A1HSD17B10KDM4E
SCHEMBL11884498 0.74 ERCC1 (0.62) TSHRHTTALDH1A1HSD17B10KDM4E
SCHEMBL9392263 0.74 MAPK1 (0.58) MEN1KMT2APOLBNPSR1GLA
SCHEMBL14692425 0.73 ERCC1 (0.56) TSHRHTTALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653676-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-19 US disclosed
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-20 US disclosed
US-9518032-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-13 US disclosed
US-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-09-26 US disclosed
WO-2011137320-A2 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-03 WO 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-20130253005-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 TSHR 4060/4885MEN1 2034/4885KMT2A 639/4885
US-10653676-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity USP1, USP2, USP28 TSHR 4060/4885MEN1 2034/4885KMT2A 639/4885
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 TSHR 4060/4885MEN1 2034/4885KMT2A 639/4885

“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.