SCHEMBL3745846

SCHEMBL3745846

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
PARP10 Q53GL7 1/20 0.37
MEN1 O00255 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2C P18825 1/20 0.36
ALOX15 P16050 1/20 0.36
KIF11 P52732 6/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
KCNN4 O15554 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2365012 0.74 MMP2 (0.38) CYP3A4RECQLALOX15MAPTKCNN4
SCHEMBL5527328 0.70 TAAR1 (0.44) CYP1A2CYP3A4RECQLMAPK1KMT2A
SCHEMBL7797664 0.70 KIF11 (0.41) CYP1A2TAAR1KIF11SMN1; SMN2KCNH2
SCHEMBL19065159 0.69 MEN1 (0.48) CYP1A2CYP3A4KMT2AMEN1MAPT
SCHEMBL3745843 0.69 KMT2A (0.36) RECQLKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2462307 0.67 MAPT (0.48) CYP1A2CYP3A4RECQLKMT2AKIF11
SCHEMBL6544663 0.67 KMT2A (0.39) CYP1A2CYP3A4RECQLMAPK1KMT2A
SCHEMBL10524246 0.66 CHRM3 (0.57) CYP3A4KMT2AALOX15KIF11MAPT
Ethylenediamine SCHEMBL31107288 0.66 KIF11 (0.40) KMT2APARP10MEN1TAAR1ALOX15
SCHEMBL9719486 0.65 TAAR1 (0.45) TAAR1KIF11SMN1; SMN2KCNH2

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 CYP1A2 1742/4885CYP3A4 2208/4885RECQL 3660/4885

“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.