SCHEMBL3745843

SCHEMBL3745843

NC(=O)NCCC(N)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
BCAT2 O15382 1/20 0.36
MEN1 O00255 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7797666 0.76 ALDH1A1 (0.39) POLBLTA4HKDM4ERECQLKCNN4
SCHEMBL4231538 0.70 BCAT2 (0.47) KMT2ABCAT2MEN1MTNR1APOLB
SCHEMBL1053081 0.69 MTNR1A (0.69) MTNR1AMTNR1BRAB9ANPC1POLB
SCHEMBL3745846 0.69 CYP1A2 (0.38) KMT2AMEN1SMN1; SMN2MAPTRECQL
SCHEMBL3754502 0.69 NAAA (0.42) HPGD
SCHEMBL2763256 0.69 KCNN4 (0.39) SMN1; SMN2LTA4HKCNN4
SCHEMBL29639804 0.68 L3MBTL1 (0.70) KMT2AMEN1MTNR1AMTNR1BRAB9A
SCHEMBL5309690 0.68 PPARG (0.49) KMT2ABCAT2MEN1MTNR1AMTNR1B
SCHEMBL2365011 0.67 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1
SCHEMBL27695610 0.66 PRSS1 (0.46) KMT2ABCAT2MEN1MTNR1AMTNR1B

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 2 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

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 KMT2A 662/4885BCAT2 388/4885MEN1 3665/4885

“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.