SCHEMBL18152847

SCHEMBL18152847

O=[N+]([O-])c1cc(Br)cc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.40
AKR1B1 P15121 1/20 0.39
ERN1 O75460 1/20 0.38
IDO1 P14902 4/20 0.36
TDO2 P48775 4/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
BLM P54132 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL3733557 0.81 TXNRD1 (0.46) GPR35MAPTCYP1A2CYP3A4TSHR
SCHEMBL1022548 0.80 GRIN2D (0.47) GPR35IDO1MAPTCYP1A2CYP3A4
SCHEMBL3216440 0.80 CHUK (0.40) MAPTCYP1A2CYP3A4TSHRBLM
SCHEMBL17348518 0.78 XDH (0.45) MAPTCYP1A2CYP3A4TSHRBLM
SCHEMBL5702615 0.76 ERN1 (0.39) GPR35ERN1IDO1TDO2MAPT
SCHEMBL18152655 0.73 MEN1 (0.49) AKR1B1ERN1IDO1TDO2MAPT
SCHEMBL27627269 0.73 AKR1B1 (0.42) GPR35AKR1B1ERN1IDO1TDO2
SCHEMBL103130 0.72 NOS1 (0.51) GPR35TDO2MAPTCYP1A2CYP3A4
SCHEMBL13604198 0.72 PRNP (0.36) GPR35IDO1TDO2MAPTCYP3A4
SCHEMBL1281660 0.72 SMN1; SMN2 (0.42) AKR1B1ERN1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 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 (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-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 GPR35 4057/4885AKR1B1 3357/4885ERN1 1151/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 GPR35 4047/4885AKR1B1 3290/4885ERN1 1104/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 GPR35 4057/4885AKR1B1 3357/4885ERN1 1151/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 GPR35 4057/4885AKR1B1 3357/4885ERN1 1151/4885

“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.