SCHEMBL3682284

SCHEMBL3682284

CCCCCCC#Cc1cccc(NC)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.49
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GGPS1 O95749 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL2890272 0.80 CYP2D6 (0.37) EGFRCYP2D6HRH3
SCHEMBL23034066 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL10751820 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2813014 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL3684156 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL13564091 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL6726038 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2811355 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL22748420 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2815299 0.78 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 — — US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 — — 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 KCNH2 4252/4885FFAR1 772/4885FFAR4 1269/4885

“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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