SCHEMBL15715985

SCHEMBL15715985

COCc1ccc(Br)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.35
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL263675 0.84 IDO1 (0.42) IDO1PTPN1CA2ALDH1A1TSHR
SCHEMBL4799519 0.81 PTPN1 (0.41) IDO1MAOBPTPN1CA2LMNA
SCHEMBL791989 0.81 IDO1 (0.63) IDO1MEN1KMT2AALDH1A1TSHR
SCHEMBL5936401 0.78 PTPN1 (0.39) IDO1MAOBPTPN1MEN1KMT2A
SCHEMBL13696431 0.78 IDO1 (0.44) IDO1ALDH1A1TSHRLMNATP53
SCHEMBL6498883 0.78 ALDH1A1 (0.44) PTPN1MEN1KMT2ACA2ALDH1A1
SCHEMBL8954831 0.78 IDO1 (0.44) IDO1CA2ALDH1A1TSHRLMNA
SCHEMBL23667706 0.77 IDO1 (0.40) IDO1MEN1KMT2AALDH1A1TSHR
SCHEMBL257061 0.77 ALDH1A1 (0.42) IDO1MAOBMEN1KMT2ACA2
SCHEMBL2523918 0.77 MAOB (0.41) IDO1MAOBMEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912916-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2024-02-27 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
WO-2021143792-A1 PIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-07-22 WO disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20170088545-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 US disclosed
WO-2015173656-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-19 WO disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 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-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC IDO1 2405/4885MAOB 1866/4885PTPN1 1224/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK IDO1 2389/4885MAOB 2621/4885PTPN1 498/4885
US-20170088545-A1 CARBOXAMIDE INHIBITORS SMURF1, SMURF2, SMYD2 IDO1 966/4885MAOB 2884/4885PTPN1 3130/4885

“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.