SCHEMBL1379121

SCHEMBL1379121

NC(=O)c1ccn(CCN2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM2B Q8NHM5 1/20 0.42
GFER P55789 1/20 0.42
PARP1 P09874 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MAPT P10636 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL7240431 0.98 KDM2B (0.43) L3MBTL1KMT2AALDH1A1KDM2BGFER
SCHEMBL16417106 0.86 ALDH1A1 (0.47) KMT2AALDH1A1PARP1MAPTMAOB
SCHEMBL29429854 0.77 KDM1A (0.41) KMT2AALDH1A1HRH3MAPTMEN1
SCHEMBL31701380 0.76 CA12 (0.47) L3MBTL1KMT2AALDH1A1PARP1MAPT
SCHEMBL20515231 0.75 AKR1B1 (0.39) L3MBTL1KMT2AALDH1A1PARP1MAPT
SCHEMBL30098901 0.75 AKR1B1 (0.39) L3MBTL1ALDH1A1PARP1MAPT
SCHEMBL3819996 0.74 AKR1B1 (0.43) L3MBTL1KMT2AALDH1A1PARP1MAPT
SCHEMBL4564716 0.71 KDM5A (0.41) ALDH1A1CYP1A2
SCHEMBL2761915 0.71 HRH3 (0.61) L3MBTL1HRH3CYP1A2MAOB
SCHEMBL2762023 0.71 HRH3 (0.61) L3MBTL1HRH3CYP1A2MAOB

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
JP-4703649-B2 2011-06-15 JP claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed

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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 L3MBTL1 4875/4885KMT2A 4657/4885ALDH1A1 2251/4885

“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.