SCHEMBL7850448

SCHEMBL7850448

Cc1cnc(F)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 4/20 0.52
CYP3A4 P08684 2/20 0.52
GPR35 Q9HC97 1/20 0.47
KDM4E B2RXH2 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.37
S1PR4 O95977 1/20 0.37

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
SCHEMBL30890603 1.00 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL761929 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL21596680 0.80 TDP1 (0.44) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL30612243 0.80 TDP1 (0.44) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL2083152 0.78 ALDH1A1 (0.50) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL12161594 0.78 SMN1; SMN2 (0.56) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL126405 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL541340 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL2711056 0.77 TSHR (0.41) TSHRCYP3A4GPR35MAPTTDP1
SCHEMBL1720997 0.77 TDP1 (0.37) SMN1; SMN2TSHRCYP3A4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 US disclosed
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 US disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 US disclosed
CN-109311846-B Novel 6-membered heteroaromatic substituted cyanoindole derivatives as NIK inhibitors 杨森制药有限公司 2021-03-19 CN disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
US-20200109129-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN-CILAG (FR) 2020-04-09 US disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
US-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 US disclosed
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 US disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 US disclosed
EP-0717745-A1 N-PYRIDINYL 1,2,4]TRIAZOLO 1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed
WO-1996001828-A1 N-PYRIDINYL[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed
US-5461161-A Chemical intermediate is 3-amino-2-hal pyridine DOWELANCO (US) 1995-10-24 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 (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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 SMN1; SMN2 2346/4885TSHR 687/4885CYP3A4 1246/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 SMN1; SMN2 2346/4885TSHR 687/4885CYP3A4 1246/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG SMN1; SMN2 4078/4885TSHR 4112/4885CYP3A4 3245/4885
US-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 239/4885TSHR 4775/4885CYP3A4 2328/4885
US-20200109129-A1 NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, MAP3K14, IKBKG SMN1; SMN2 3585/4885TSHR 4129/4885CYP3A4 3331/4885

“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.