SCHEMBL1947967

SCHEMBL1947967

O=C(O)c1cc(F)cc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.59
▸ TPMT P51580 4/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.47
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ BAD Q92934 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL422824 0.83 TPMT (0.59) HCAR1TPMTCA12CA1CA2
SCHEMBL157714 0.83 HCAR1 (0.73) HCAR1TPMTHCAR2CES2CES1
SCHEMBL1951073 0.83 TPMT (0.59) HCAR1TPMTCA12CA1CA2
SCHEMBL336433 0.83 HCAR1 (0.73) HCAR1TPMTHCAR2CES2CES1
SCHEMBL21516794 0.82 PARP1 (0.52) HCAR1HCAR2CES2CES1L3MBTL1
Hydrochloric Acid SCHEMBL6518491 0.80 HCAR1 (0.70) HCAR1TPMTHCAR2CES2CES1
Hydrochloric Acid SCHEMBL2293148 0.80 HCAR1 (0.70) HCAR1TPMTHCAR2CES2CES1
SCHEMBL7947897 0.77 DHODH (0.55) TPMTCA12CA1CA2CA7
SCHEMBL27940624 0.77 HCAR1 (0.59) HCAR1TPMTHCAR2CES2CES1
SCHEMBL29399457 0.77 NR4A2 (0.46) HCAR1CES2CES1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 — — US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 — — EP disclosed
EP-3584239-B1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-09-11 — — EP disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 — — CN disclosed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 — — EP disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
WO-2023169453-A1 HETEROAROMATIC RING-CONTAINING ALKYNYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-09-14 — — WO disclosed
CN-116730978-A Compound containing heteroaromatic ring alkynyl, preparation method and application thereof 中国科学院上海药物研究所 2023-09-12 — — CN disclosed
US-11681220-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-20 — — US disclosed
US-11681220-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-20 — — US disclosed
EP-1945632-B1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2013-09-18 — — EP disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 — — EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 — — WO disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 — — 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 (5 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HCAR1 3920/4885TPMT 1621/4885HCAR2 3817/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH HCAR1 878/4885TPMT 2435/4885HCAR2 702/4885
US-11681220-B2 Resist composition and method for producing resist pattern RER1, POLR1A, REV1 HCAR1 818/4885TPMT 4046/4885HCAR2 2672/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HCAR1 1471/4885TPMT 4042/4885HCAR2 1119/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HCAR1 3920/4885TPMT 1621/4885HCAR2 3817/4885

“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.

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