SCHEMBL7040902

SCHEMBL7040902

CC(Nc1nc(-c2ccc(N3CCCC3)cc2)cs1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAOA P21397 7/20 0.55
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
PHGDH O43175 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAOB P27338 1/20 0.46
AR P10275 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11385164 0.84 MEN1 (0.70) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7038725 0.79 CYP1A1 (0.66) MAPTALDH1A1KMT2AMEN1MAOA
SCHEMBL7042043 0.79 MAOA (0.60) MAPTMAOAROCK2ROCK1CYP1A1
SCHEMBL12297811 0.78 MAOA (0.47) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL24590383 0.78 ALOX5 (0.62) MAPTKMT2AMEN1MAOALMNA
Bromide SCHEMBL6833571 0.78 CYP1A1 (0.65) MAPTALDH1A1KMT2AMEN1MAOA
SCHEMBL12297988 0.78 CYP1A1 (0.56) MAPTALDH1A1KMT2AMEN1MAOA
Bromide SCHEMBL6833511 0.77 MAOA (0.59) MAPTMAOAROCK2ROCK1CYP1A1
SCHEMBL7037764 0.76 MAOA (0.57) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL13341086 0.76 MAOA (0.48) MAPTALDH1A1KMT2AMEN1MAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158199-A1 Novel compounds for inhibition of Tie-2 KYLIX, B.V. (NL) 2003-08-21 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-20030158199-A1 Novel compounds for inhibition of Tie-2 TIE1, TEK, KDR MAPT 4149/4885ALDH1A1 1890/4885KMT2A 499/4885

“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.