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
SCHEMBL5656941 0.86 NPC1 (0.74) ALDH1A1PPIBNPC1RAB9ASMN1; SMN2
SCHEMBL22664771 0.86 NPC1 (0.76) ALDH1A1PPIBPKMNPC1RAB9A
SCHEMBL15886556 0.86 NPC1 (0.74) ALDH1A1PPIBNPC1RAB9ASMN1; SMN2
SCHEMBL4575661 0.85 ALDH1A1 (0.61) ALDH1A1MAPTPKMTHRBNPC1
SCHEMBL18415458 0.85 MAPT (0.65) 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.

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