SCHEMBL3288378

SCHEMBL3288378

NCc1cccc2c1OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
ADORA2A P29274 4/20 0.38
PNMT P11086 2/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
AKT1 P31749 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PTPN11 Q06124 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RORC P51449 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
ATR Q13535 1/20 0.31
DPP4 P27487 1/20 0.31
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30

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
Hydrochloric Acid SCHEMBL26100663 0.98 MPO (0.43) MPOADORA2APNMTDRD2DRD1
SCHEMBL34462978 0.86 MPO (0.43) MPOADORA2ADRD2DRD1AKT1
SCHEMBL34463082 0.86 MPO (0.43) MPOADORA2ADRD2DRD1AKT1
SCHEMBL7274441 0.83 MPO (0.42) MPOADORA2ADRD2DRD1AKT1
SCHEMBL23719269 0.82 PNMT (0.33) MPOADORA2APNMT
SCHEMBL7651499 0.81 MPO (0.41) MPOADORA2ADRD2DRD1AKT1
SCHEMBL2663368 0.81 MPO (0.41) MPOADORA2ADRD2DRD1AKT1
SCHEMBL25844897 0.81 MPO (0.41) MPOADORA2ADRD2DRD1AKT1
SCHEMBL23719256 0.80 MPO (0.32) MPOPNMT
SCHEMBL5330644 0.79 MPO (0.40) MPOADORA2ADRD2DRD1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2022-12-08 US disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (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-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA MPO 1800/4885ADORA2A 2749/4885PNMT 1682/4885
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA MPO 2851/4885ADORA2A 2796/4885PNMT 4448/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA MPO 2650/4885ADORA2A 2255/4885PNMT 4473/4885
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 MPO 1946/4885ADORA2A 16/4885PNMT 1293/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MPO 1946/4885ADORA2A 16/4885PNMT 1293/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA MPO 1800/4885ADORA2A 2749/4885PNMT 1682/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA MPO 1706/4885ADORA2A 1660/4885PNMT 4617/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 MPO 1946/4885ADORA2A 16/4885PNMT 1293/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MPO 1851/4885ADORA2A 16/4885PNMT 1280/4885

“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.