SCHEMBL3591526

SCHEMBL3591526

Cn1c(C(=O)CC#N)cc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NTRK1 P04629 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ SRD5A2 P31213 1/20 0.43
▸ GALR3 O60755 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CNR1 P21554 7/20 0.41
▸ GFER P55789 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ KCNQ3 O43525 2/20 0.39
▸ KCNQ2 O43526 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL10253811 0.81 KDM4E (0.69) L3MBTL1NTRK1KDM4EALDH1A1HPGD
SCHEMBL10002994 0.79 NOD1 (0.48) L3MBTL1NTRK1KDM4ELMNA
SCHEMBL15670291 0.79 L3MBTL1 (0.56) L3MBTL1NTRK1KDM4EALDH1A1HPGD
SCHEMBL3593923 0.77 RXFP1 (0.54) MEN1KMT2A
SCHEMBL3587743 0.75 MCL1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3143440 0.74 NTRK1 (0.48) NTRK1KDM4ESMN1; SMN2CNR1MEN1
SCHEMBL10005014 0.73 NOD1 (0.48) L3MBTL1KDM4ELMNA
SCHEMBL15669790 0.71 MAOA (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL136576 0.70 MMP2 (0.47) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL699774 0.70 NTRK1 (0.56) NTRK1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 — — US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 — — WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA L3MBTL1 1021/4885NTRK1 718/4885KDM4E 2668/4885

“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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