SCHEMBL4965486

SCHEMBL4965486

N=C(OCc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 1/20 0.50
F2 P00734 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL18069820 0.81 MAOB (0.58) RAB9ATSHRKMT2ARXFP1F2
SCHEMBL1493670 0.80 KMT2A (0.60) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL7203836 0.79 RAB9A (0.60) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL10889169 0.78 TSHR (0.60) RAB9ATSHRKMT2ARXFP1F2
SCHEMBL11632216 0.78 RAB9A (0.62) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL3276281 0.77 RAB9A (0.57) RAB9ATSHRKMT2ARXFP1F2
Hydrochloric Acid SCHEMBL11632213 0.77 RAB9A (0.61) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL3719794 0.77 MAOB (0.63) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL19165746 0.76 MAOB (0.59) RAB9ATSHRKMT2ARXFP1MAPT
SCHEMBL20337575 0.76 TSHR (0.61) RAB9ATSHRKMT2ARXFP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
CN-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 CN disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US disclosed
EP-3057956-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana-Farber Cancer Institute, Inc. (US) 2016-08-24 EP disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
EP-1459765-B1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-20 EP disclosed
US-7157594-B2 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
EP-1459765-A1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-09-22 EP 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-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives GRM1, GRM2, GRM6 RAB9A 1343/4885TSHR 493/4885KMT2A 1836/4885
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 RAB9A 3383/4885TSHR 3179/4885KMT2A 1382/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 RAB9A 3383/4885TSHR 3179/4885KMT2A 1382/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 RAB9A 3383/4885TSHR 3179/4885KMT2A 1382/4885

“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.