SCHEMBL5860896

SCHEMBL5860896

O=C(Cc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
RAB9A P51151 2/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.71
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA12 O43570 2/20 0.66
CA9 Q16790 2/20 0.66
HSD17B2 P37059 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
ERCC1 P07992 2/20 0.65
ERCC4 Q92889 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65

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
SCHEMBL7285179 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL16082991 0.93 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL392625 0.89 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL22664696 0.86 MEN1 (0.74) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL24821237 0.85 KMT2A (0.77) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL14758329 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL3838048 0.84 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL10133256 0.84 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL10133036 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL17229250 0.83 PLAAT3 (0.73) ALDH1A1KMT2AMEN1LMNAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041196-A Novel method for catalytic synthesis of amide bond 烟台南山学院 2023-05-02 CN disclosed
US-20110319636-A1 METHOD FOR PREPARATION OF AMIDES FROM ALCOHOLS AND AMINES BY EXTRUSION OF HYDROGEN TECHNICAL UNIVERSITY OF DENMARK 2011-12-29 US disclosed
US-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 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-20110319636-A1 METHOD FOR PREPARATION OF AMIDES FROM ALCOHOLS AND AMINES BY EXTRUSION OF HYDROGEN ADH1C, ADH5, ADH1A ALDH1A1 206/4885KMT2A 1117/4885MEN1 681/4885

“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.