SCHEMBL16598917

SCHEMBL16598917

Cc1nc2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
NPSR1 Q6W5P4 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR2E1 Q9Y466 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 4/20 0.49

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
SCHEMBL16598920 0.91 MAOB (0.56) MAOBNPSR1ALDH1A1KMT2AMEN1
SCHEMBL8262965 0.85 ACACB (0.48) KMT2AMEN1
SCHEMBL16598525 0.85 MAOB (0.54) MAOBNPSR1ALDH1A1KMT2AMEN1
SCHEMBL17938691 0.84 MAOB (0.53) MAOBNPSR1ALDH1A1KMT2AMEN1
SCHEMBL8262960 0.81 MEN1 (0.60) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL13290560 0.81 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16598819 0.80 MAOB (0.59) MAOBNPSR1ALDH1A1KMT2AMEN1
SCHEMBL20765646 0.79 MYC (0.53) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL13290574 0.79 TLR9 (0.53) KMT2AMEN1SMN1; SMN2HPGDFLT3
SCHEMBL20765718 0.78 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2HPGDRAB9A

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 WO 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS MAOB 4298/4885NPSR1 3765/4885ALDH1A1 4277/4885

“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.