SCHEMBL9977905

SCHEMBL9977905

COc1ccc(CNC(=O)C(=O)NCc2ccc(N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
PPIB P23284 1/20 0.60
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.57
THRB P10828 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.52
EPHX2 P34913 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL16562180 0.91 ALDH1A1 (0.69) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL22664771 0.86 NPC1 (0.76) ALDH1A1PPIBPKMNPC1RAB9A
SCHEMBL5656941 0.86 NPC1 (0.74) ALDH1A1PPIBNPC1RAB9ASMN1; SMN2
SCHEMBL15886556 0.86 NPC1 (0.74) ALDH1A1PPIBNPC1RAB9ASMN1; SMN2
SCHEMBL18415458 0.85 MAPT (0.65) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL4575661 0.85 ALDH1A1 (0.61) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL16562183 0.83 ALDH1A1 (0.66) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL28142690 0.83 ALDH1A1 (0.68) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL1695235 0.82 NPC1 (0.66) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL10143918 0.82 ALDH1A1 (0.67) ALDH1A1MAPTPKMNPC1RAB9A

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
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ALDH1A1 2789/4885PPIB 1226/4885MAPT 3677/4885

“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.