SCHEMBL2645544

SCHEMBL2645544

Oc1ccccc1C(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
TSHR P16473 3/20 0.50
ALDH1A1 P00352 4/20 0.47
CA2 P00918 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 4/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
EGFR P00533 2/20 0.47
FYN P06241 2/20 0.47
MMP9 P14780 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
CA4 P22748 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL3080400 0.81 GABRA1 (0.54) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL28768780 0.79 GABRA1 (0.52) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL7185267 0.79 GABRA1 (0.52) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL5586908 0.79 HPGD (0.52) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL11125456 0.79 GABRA1 (0.52) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL9290334 0.79 GABRA1 (0.65) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL1538924 0.78 GABRA1 (0.35) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL29826430 0.77 ADRA2A (0.52) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL7071816 0.77 GABRA1 (0.50) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL30194816 0.77 GABRA1 (0.62) GABRA1GABRB2TSHRALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257077-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. 2025-08-14 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
CN-108368090-A Compounds as Immunomodulators 百时美施贵宝公司 2018-08-03 CN disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
CN-105658630-A Tetrazolinone compound and use thereof 住友化学株式会社 2016-06-08 CN disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080254361-A1 Non-Aqueous Electrolyte for Battery and Non-Aqueous Electrolyte Secondary Battery Comprising the Same BRIDGESTONE CORPORATION (JP) 2008-10-16 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
US-4069340-A ARYLOXY DIMETHYL IMMONIUM CHLORIDES FROM DIMETHYL FORMAMIDE AND CORRESPONDING ARYL CHLOROFORMATES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 US disclosed
US-3983178-A Immonium salts and derivatives thereof HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-09-28 US 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-20250257077-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 GABRA1 3558/4885GABRB2 3175/4885TSHR 4535/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 GABRA1 2619/4885GABRB2 1654/4885TSHR 3405/4885
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 GABRA1 2398/4885GABRB2 3399/4885TSHR 459/4885

“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.