SCHEMBL4092939

SCHEMBL4092939

COc1ccc(-c2ccccc2)cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
NQO1 P15559 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
HTR2C P28335 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL458388 0.84 ALDH1A1 (0.45) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL4533772 0.81 L3MBTL1 (0.62) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL17400405 0.79 MAOA (0.47) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL2093994 0.78 MAOA (0.51) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL8264357 0.78 KDM4E (0.54) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL29644376 0.78 KDM4E (0.54) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL403698 0.76 ADORA2A (0.55) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL9840899 0.76 KDM4E (0.42) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL330530 0.76 ALDH1A1 (0.55) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL8481713 0.76 CYP17A1 (0.57) KDM4EHPGDMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
CN-114560790-A Biphenyl-2-nitrile compound and preparation method thereof 赣南师范大学 2022-05-31 CN disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 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 (1 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 KDM4E 2132/4885HPGD 61/4885MAPT 929/4885

“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.