SCHEMBL3678191

SCHEMBL3678191

O=C(O)c1cc(N2CCCC2=O)cc(C#Cc2ccccc2)c1N1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL23500799 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL27613664 0.71 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5853388 0.68 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL20794613 0.68 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL7934718 0.68 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5219110 0.68 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5853558 0.67 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL1280419 0.67 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL136476 0.67 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL3678196 0.66 NPC1 (0.48) ALDH1A1CYP1A2CYP2C9HPGDCYP3A4

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 ALDH1A1 236/4885CYP1A2 1742/4885CYP2D6 1791/4885

“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.