SCHEMBL3685582

SCHEMBL3685582

CCCCCCCC#Cc1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MMP2 P08253 1/20 0.54
MMP12 P39900 1/20 0.54
KCNH2 Q12809 4/20 0.49
APP P05067 2/20 0.46
MAPT P10636 1/20 0.41

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
SCHEMBL3685598 1.00 FFAR1 (0.55) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886652 0.90 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL18357105 0.85 ACHE (0.48) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL19523535 0.83 MAPT (0.63) FFAR1FFAR4MMP2MMP12APP
SCHEMBL5886550 0.83 KCNH2 (0.59) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6719972 0.82 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6022668 0.82 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL6718627 0.82 FFAR1 (0.60) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886588 0.82 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886641 0.81 KCNH2 (0.60) FFAR1FFAR4MMP2MMP12KCNH2

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 FFAR1 772/4885FFAR4 1269/4885MMP2 961/4885

“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.