SCHEMBL5337212

SCHEMBL5337212

N#Cc1ccc2o[c]nc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMO O15229 1/20 0.33
CETP P11597 1/20 0.32
PGR P06401 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIN1 Q13526 1/20 0.31
PSMB8 P28062 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL11189202 0.85 CYP2A6 (0.38) CYP2A6NOS3NOS1NOS2KDM4E
SCHEMBL206008 0.81 EGFR (0.33)
SCHEMBL207265 0.71 AHR (0.37) CYP2A6ALDH1A1
SCHEMBL4152683 0.71 RAB9A (0.42) KDM4EALDH1A1GAA
SCHEMBL11518261 0.68 CYP2A6 (0.47) CYP2A6NOS3NOS1NOS2KDM4E
SCHEMBL940594 0.68 ALDH1A1 (0.44) CYP2A6KDM4EALDH1A1
SCHEMBL5140691 0.68 MEN1 (0.41)
SCHEMBL5345579 0.67 FGFR1 (0.37) ABCG2
SCHEMBL208752 0.67 MAP3K14 (0.33)
SCHEMBL407727 0.67 PKM (0.45) NOS3NOS2KDM4EKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
EP-2814321-A2 NEMATICIDAL CIS (HETERO)ARYLCYCLOPROPYLCARBOXAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-12-24 EP disclosed
WO-2013120940-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 WO disclosed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-4172081-A Benzotriazole ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-10-23 US disclosed
US-4162254-A Benzoxazole ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-07-24 US disclosed
US-4137235-A ULTRAVIOLET STABILIZERS IN POLYMERIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1979-01-30 US disclosed
US-4116928-A Heterocylic ester, ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4116929-A POLYESTERS EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4096115-A Ultraviolet light stabilized polymers EASTMAN KODAK COMPANY (US) 1978-06-20 US disclosed
US-4065427-A Polychromophoric heterocyclic ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1977-12-27 US disclosed
US-4017508-A POLYMERS EASTMAN KODAK COMPANY (US) 1977-04-12 US disclosed
US-4000148-A POLYMERS EASTMAN KODAK COMPANY (US) 1976-12-28 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 (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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 CYP2A6 4848/4885NOS3 3788/4885NOS1 4315/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S CYP2A6 772/4885NOS3 178/4885NOS1 60/4885
US-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 CYP2A6 306/4885NOS3 2827/4885NOS1 2025/4885
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS PRNP, PSEN1, SNCA CYP2A6 4714/4885NOS3 3968/4885NOS1 4224/4885

“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.