SCHEMBL9770766

SCHEMBL9770766

Cc1cc(N)ccc1Oc1ncc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 8/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
KEAP1 Q14145 1/20 0.35
CASP1 P29466 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FFAR1 O14842 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 3/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL20576326 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL30466091 0.84 CYP3A4 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9770811 0.84 CYP3A4 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL18921108 0.83 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL18921106 0.81 MEN1 (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL9635890 0.81 CYP3A4 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL10495488 0.78 RET (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL10506972 0.77 GAA (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4329985 0.76 ALDH1A1 (0.56) CYP3A4ALDH1A1KDM4EPDE10AMAPT
SCHEMBL30473086 0.76 ALDH1A1 (0.56) CYP3A4ALDH1A1KDM4EPDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 US disclosed
US-20200361860-A1 hTERT MODULATORS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-11-19 US disclosed
US-10556860-B2 hTERT modulators and methods of use ARIZONA BOARD OF REGENTS (US) 2020-02-11 US disclosed
US-20180346415-A1 hTERT MODULATORS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2018-12-06 US disclosed
EP-3383841-A1 hTERT MODULATORS AND METHODS OF USE The Arizona Board of Regents On Behalf of the University of Arizona (US) 2018-10-10 EP disclosed
WO-2017095969-A1 hTERT MODULATORS AND METHODS OF USE THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-06-08 WO disclosed
US-4987135-A Leukemia, melanoma ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-22 US disclosed
EP-0335408-A2 Substituted benzene derivatives, processes for their production and antitumour compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-10-04 EP disclosed
US-4863924-A N-benzoyl urea compounds, antitumorous compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1989-09-05 US disclosed
EP-0226104-A2 N-Benzoyl urea compounds, antitumorous compositions containing them, and process for their preparation ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-06-24 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-20200361860-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 CYP1A2 3248/4885CYP3A4 4021/4885CYP2C19 4254/4885
US-10556860-B2 hTERT modulators and methods of use TERT, POT1, TERF2 CYP1A2 3946/4885CYP3A4 3312/4885CYP2C19 3492/4885
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 CYP1A2 3575/4885CYP3A4 4235/4885CYP2C19 4231/4885
US-20180346415-A1 hTERT MODULATORS AND METHODS OF USE TERT, POT1, TERF2 CYP1A2 3946/4885CYP3A4 3312/4885CYP2C19 3492/4885

“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.