SCHEMBL14010983

SCHEMBL14010983

COc1ccc(CN[C@@H]2C=Cc3ccccc3C2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 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
SCHEMBL4854361 1.00 KDM1A (0.44) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL4854356 1.00 KDM1A (0.44) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL14010982 0.84 SIGMAR1 (0.46) KDM1AMAOA
SCHEMBL4855649 0.84 SIGMAR1 (0.46) KDM1AMAOA
SCHEMBL4855655 0.84 SIGMAR1 (0.46) KDM1AMAOA
SCHEMBL6678390 0.78 IDO1 (0.39) ALDH1A1HTT
SCHEMBL4859955 0.78 IDO1 (0.39) ALDH1A1HTT
SCHEMBL27621129 0.75 EDNRA (0.44) MAOAMEN1KMT2ANPC1HPGD
SCHEMBL14074344 0.73 CYP3A4 (0.39) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL4862964 0.73 CYP3A4 (0.39) MEN1KMT2AHPGDALDH1A1RAB9A

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-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 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-20080300271-A1 Novel compounds and a novel process for their preparation NUDT1, NCL, NUCB2 KDM1A 4826/4885MAOA 1639/4885MAOB 414/4885

“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.