SCHEMBL1612428

SCHEMBL1612428

COc1ccc(-n2nccc2NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NTRK1 P04629 1/20 0.57
NTRK2 Q16620 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.55
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HK1 P19367 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1612575 0.90 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493562 0.88 CYP1A2 (0.58) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1612460 0.88 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493522 0.85 CYP1A2 (0.62) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493438 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493610 0.81 CYP1A2 (0.61) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493358 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1493373 0.81 NPSR1 (0.55) ALDH1A1MEN1KMT2ANTRK1NTRK2
SCHEMBL1611457 0.81 ALDH1A1 (0.60) ALDH1A1NTRK1NTRK2HTTSMN1; SMN2
SCHEMBL1609960 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANTRK1NTRK2

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.