SCHEMBL41933

SCHEMBL41933

NCc1cccc(C(F)(F)F)c1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
IDO1 P14902 3/20 0.47
AKR1B1 P15121 1/20 0.43
MPL P40238 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PNMT P11086 2/20 0.40
TDO2 P48775 1/20 0.40
P2RX7 Q99572 5/20 0.38
CD38 P28907 1/20 0.38

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
SCHEMBL29775075 0.86 TAAR1 (0.50) MAOBIDO1AKR1B1
SCHEMBL3583278 0.86 TAAR1 (0.50) MAOBIDO1AKR1B1
Hydrochloric Acid SCHEMBL5176434 0.84 TAAR1 (0.48) MAOBIDO1AKR1B1ALDH1A1POLB
SCHEMBL8340093 0.83 MAOB (0.38) MAOBIDO1AKR1B1PNMTP2RX7
SCHEMBL964459 0.83 IDO1 (0.39) MAOBIDO1AKR1B1MPLPNMT
SCHEMBL43013 0.82 IDO1 (0.61) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL5415312 0.81 GABRA1 (0.46) IDO1AKR1B1P2RX7CD38
SCHEMBL20560274 0.81 AKR1B1 (0.42) MAOBIDO1AKR1B1MPLALDH1A1
SCHEMBL1607335 0.81 AKR1B1 (0.46) IDO1AKR1B1MPLP2RX7CD38
SCHEMBL1607338 0.81 AKR1B1 (0.42) IDO1AKR1B1MPLP2RX7CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
CN-111295373-B Compositions and methods for treating brain injury 阿泽凡药物公司 2024-12-10 CN disclosed
EP-3626718-B1 FIVE-MEMBERED-FUSED-SIX-MEMBERED AZA-AROMATIC RING COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF UNIV XIAMEN (CN) 2024-05-15 EP disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 WO disclosed
CN-1606554-A Beta-lactam vasopressin V1a Antagonists SERENIX PHARMACEUTICALS LLC (US) 2005-04-13 CN disclosed
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AZEVAN PHARMACEUTICALS, INC. 2004-12-30 US disclosed
EP-1434763-A2 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS Serenix Pharmaceuticals, LLC (US) 2004-07-07 EP disclosed
WO-2003031407-A2 β-LACTAMYL VASOPRESSIN VlaANTAGONISTS SERENIX PHARMACEUTICALS, LLC (US) 2003-04-17 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 (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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT MAOB 217/4885IDO1 3872/4885AKR1B1 3052/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B MAOB 2886/4885IDO1 1950/4885AKR1B1 505/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B MAOB 247/4885IDO1 2561/4885AKR1B1 1156/4885
US-20040266750-A1 Beta-lactamyl vasopressin v1aantagonists AVPR1A, AVPR2, AVPR1B MAOB 3085/4885IDO1 1549/4885AKR1B1 527/4885

“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.