SCHEMBL5654973

SCHEMBL5654973

N#CC(c1ccc(F)cc1)c1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 3/20 0.47
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALPG P10696 2/20 0.44
S1PR3 Q99500 6/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
S1PR1 P21453 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 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
SCHEMBL5654595 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAALMNASMN1; SMN2
SCHEMBL11276573 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1GAALMNASMN1; SMN2
SCHEMBL12139914 0.76 ALDH1A1 (0.77) ALDH1A1L3MBTL1GAALMNASMN1; SMN2
SCHEMBL25482247 0.76 S1PR3 (0.40) LMNASMN1; SMN2S1PR3RAB9AS1PR1
SCHEMBL21831494 0.76 LMNA (0.44) LMNASMN1; SMN2S1PR3RAB9AS1PR1
SCHEMBL23609157 0.76 S1PR3 (0.40) LMNASMN1; SMN2S1PR3RAB9AS1PR1
SCHEMBL10370952 0.74 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAALMNASMN1; SMN2
SCHEMBL13491516 0.74 CETP (0.41) L3MBTL1
SCHEMBL21910144 0.73 FFAR2 (0.40) LMNASMN1; SMN2S1PR3RAB9AS1PR1
SCHEMBL1508006 0.73 ALDH1A1 (0.70) ALDH1A1L3MBTL1GAALMNASMN1; SMN2

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ALDH1A1 519/4885L3MBTL1 2184/4885GAA 2987/4885

“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.