SCHEMBL3682263

SCHEMBL3682263

O=C(ON1C(=O)CCC1=O)c1ccc(CSc2ccc(Cl)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
DAO P14920 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 2/20 0.39
STAT3 P40763 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
SCHEMBL3689149 0.76 LMNA (0.41) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL979643 0.72 PRSS1 (0.40) MAPTSMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL2304091 0.71 SMN1; SMN2 (0.70) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL3688463 0.70 HTT (0.61) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL3685840 0.70 ALOX5 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9465229 0.70 MGLL (0.48) MAPTL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL7854466 0.69 MGLL (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3681633 0.69 KMT2A (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3684043 0.68 NPC1 (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11396980 0.67 ALDH1A1 (0.49) MAPTL3MBTL1SMN1; SMN2LMNAALDH1A1

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 MAPT 581/4885CYP1A2 1742/4885CYP3A4 2208/4885

“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.