SCHEMBL2588131

SCHEMBL2588131

O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
ALDH1A1 P00352 10/20 0.70
POLB P06746 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PKM P14618 1/20 0.70
HPGD P15428 4/20 0.64
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 1/20 0.57
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK10 P53779 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL6982894 0.79 HPGD (1.00) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL30877025 0.79 HPGD (1.00) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL5606465 0.77 CYP1A2 (0.70) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL12288671 0.76 TSHR (0.60) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL17824936 0.75 TSHR (0.60) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL9523849 0.73 CYP1A2 (1.00) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL11362739 0.73 TSHR (0.59) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL19291210 0.72 HPGD (0.80) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL6982033 0.71 ALDH1A1 (0.64) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL5878601 0.71 ALDH1A1 (0.82) TSHRALDH1A1KMT2AHPGDKDM4E

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 4060/4885ALDH1A1 1183/4885POLB 359/4885
US-10653676-B2 Small molecule inhibitors of USP1 deubiquitinating enzyme activity USP1, USP2, USP28 TSHR 4060/4885ALDH1A1 1183/4885POLB 359/4885
US-20170202810-A1 SMALL MOLECULE INHIBITORS OF USP1 DEUBIQUITINATING ENZYME ACTIVITY USP1, USP2, USP28 TSHR 4060/4885ALDH1A1 1183/4885POLB 359/4885

“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.