SCHEMBL3985668

SCHEMBL3985668

O=[N+]([O-])c1cc(O)c(F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TTR P02766 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
MAPK1 P28482 2/20 0.42
PMP22 Q01453 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
SNCA P37840 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9222365 0.85 ALDH1A1 (0.46) CA12CA9ALDH1A1ALOX15TDP1
SCHEMBL3240394 0.81 ALDH1A1 (0.57) CA12CA9TTRALDH1A1ALOX15
SCHEMBL29761562 0.81 ALDH1A1 (0.57) CA12CA9TTRALDH1A1ALOX15
SCHEMBL14210874 0.79 SMN1; SMN2 (0.46) CA12CA9ALDH1A1ALOX15TDP1
SCHEMBL810816 0.79 TDP1 (0.50) CA12CA9TTRALDH1A1ALOX15
SCHEMBL24557845 0.79 ALDH1A1 (0.49) CA12CA9ALDH1A1ALOX15TDP1
SCHEMBL22382466 0.79 TTR (0.42) CA12CA9TTRALDH1A1ALOX15
SCHEMBL24557843 0.79 TDP1 (0.43) CA12CA9ALDH1A1ALOX15TDP1
SCHEMBL19438425 0.77 AR (0.41) CA12CA9TTRALDH1A1ALOX15
SCHEMBL17379066 0.76 ALDH1A1 (0.50) CA12CA9ALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102575-B Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2025-01-17 CN disclosed
WO-2023082052-A1 CYCLIC 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREOF 暨南大学 2023-05-19 WO disclosed
CN-116102575-A Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2023-05-12 CN disclosed
US-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-7541478-B2 Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-20070197636-A1 Coumarin Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
US-20070197636-A1 Coumarin Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
US-20070197636-A1 Coumarin Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
CN-1950352-A Coumarin derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2007-04-18 CN disclosed
EP-1720850-A1 COUMARIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-15 EP disclosed
WO-2005082879-A1 COUMARIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-09 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 (1 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-20070197636-A1 Coumarin Derivative And Use Thereof CBR3, HCCS, CBR1 CA12 340/4885CA9 767/4885TTR 4603/4885

“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.