SCHEMBL1612460

SCHEMBL1612460

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 2/20 0.49
ALOX15 P16050 2/20 0.49
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL1493358 0.94 MEN1 (0.58) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1493501 0.93 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1609960 0.93 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1493325 0.93 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1611384 0.92 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNANTRK1
SCHEMBL1493549 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1493418 0.91 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1612385 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL1493475 0.90 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1493457 0.90 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AGAALMNA

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US claimed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885MEN1 683/4885KMT2A 1510/4885

“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.