SCHEMBL478785

SCHEMBL478785

CC(=O)c1ccc(Cl)c(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
SORT1 Q99523 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ADRA2A P08913 1/20 0.32
CLCN2 P51788 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL30343106 1.00 HPGD (0.41) HPGDUSP2ALDH1A1MAOBMAOA
SCHEMBL478797 0.82 TSHR (0.44) HPGDUSP2ALDH1A1SORT1SMN1; SMN2
SCHEMBL5696491 0.82 ALDH1A1 (0.39) HPGDALDH1A1MAOBMAOAKMT2A
SCHEMBL31410035 0.82 HPGD (0.53) HPGDUSP2ALDH1A1MAOBMAOA
SCHEMBL14861075 0.81 KMT2A (0.47) HPGDUSP2ALDH1A1SORT1KMT2A
SCHEMBL17479418 0.80 ABL1 (0.44) HPGDUSP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL750562 0.80 ALDH1A1 (0.38) HPGDALDH1A1MAOBMAOAKMT2A
SCHEMBL2827111 0.80 CES2 (0.48) ALDH1A1MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL29741520 0.80 CES2 (0.48) ALDH1A1MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL14873777 0.78 HPGD (0.42) HPGDUSP2MAOBMAOASORT1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
EP-3486242-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-05-22 EP disclosed
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 US disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (9 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885USP2 2495/4885ALDH1A1 4598/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885USP2 2495/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 HPGD 2161/4885USP2 2495/4885ALDH1A1 4598/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 HPGD 1220/4885USP2 2243/4885ALDH1A1 2830/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 HPGD 838/4885USP2 4131/4885ALDH1A1 3227/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 HPGD 2161/4885USP2 2495/4885ALDH1A1 4598/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 HPGD 948/4885USP2 3979/4885ALDH1A1 1754/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HPGD 838/4885USP2 4131/4885ALDH1A1 3227/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HPGD 2161/4885USP2 2495/4885ALDH1A1 4598/4885

“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.