SCHEMBL4538802

SCHEMBL4538802

O=C(O)Cc1ncccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
SSTR4 P31391 2/20 0.44
AGBL2 Q5U5Z8 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
RBP4 P02753 1/20 0.42
HSD11B1 P28845 1/20 0.42
DHODH Q02127 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1B1 P15121 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CD38 P28907 1/20 0.40
POLQ O75417 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL30427779 0.83 SSTR4 (0.48) TRPV1SSTR4CTNNB1WNT3AHSD11B1
SCHEMBL30427695 0.81 SSTR4 (0.46) TRPV1SSTR4CTNNB1WNT3AHSD11B1
SCHEMBL7888808 0.81 SSTR4 (0.46) MAPTSSTR4CTNNB1WNT3ADHODH
SCHEMBL27936635 0.80 RBP4 (0.45) TRPV1KDM4ECYP1A2MAPTCTNNB1
SCHEMBL10161356 0.79 MAPT (0.54) KDM4ECYP1A2MAPTSSTR4CD38
SCHEMBL2305519 0.78 EPHX2 (0.44) SSTR4CTNNB1WNT3ARBP4HSD11B1
SCHEMBL507101 0.78 ALDH1A1 (0.53) TRPV1KDM4ESSTR4CTNNB1WNT3A
SCHEMBL28028586 0.78 CACNA1H (0.46) KDM4ECYP1A2MAPTSSTR4AGBL2
SCHEMBL10161169 0.77 P2RX7 (0.45) SSTR4CTNNB1WNT3ARBP4EPHX2
Hydrochloric Acid SCHEMBL2305254 0.77 ALDH1A1 (0.52) TRPV1KDM4ESSTR4CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 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 (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-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK TRPV1 2363/4885KDM4E 2012/4885CYP1A2 128/4885

“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.