SCHEMBL15009429

SCHEMBL15009429

Cc1cc(C(F)=Cc2ccc(SC(F)(F)F)cc2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ PDE2A O00408 7/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TP53 P04637 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
SCHEMBL14637152 1.00 DAO (0.36) DAOHCAR2PDE2AMEN1KMT2A
SCHEMBL15009705 0.84 DAO (0.41) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL14637850 0.82 DHODH (0.47) DAOHCAR2MEN1KMT2ASMN1; SMN2
SCHEMBL14637852 0.82 DHODH (0.47) DAOHCAR2MEN1KMT2ASMN1; SMN2
SCHEMBL14638236 0.81 DAO (0.36) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL14638008 0.81 DAO (0.36) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL14637910 0.81 DAO (0.40) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL14637909 0.81 DAO (0.40) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL14653504 0.80 NPC1 (0.43) DAOHCAR2MEN1KMT2ACTDSP1
SCHEMBL15009567 0.80 NPC1 (0.43) DAOHCAR2MEN1KMT2ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A DAO 2055/4885HCAR2 266/4885PDE2A 1922/4885

“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.

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