SCHEMBL5656941

SCHEMBL5656941

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
RAB9A P51151 4/20 0.74
ALDH1A1 P00352 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
EPHX2 P34913 3/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
NR1H4 Q96RI1 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
PPARG P37231 1/20 0.62
TSHR P16473 1/20 0.60
GAA P10253 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC6 Q9UBN7 1/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 2/20 0.57
PPIB P23284 1/20 0.56
CXCR3 P49682 1/20 0.56

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
SCHEMBL15886556 1.00 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL11761142 0.92 NPC1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL9416606 0.92 NPC1 (0.82) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL12604611 0.87 EPHX2 (0.78) RAB9ASMN1; SMN2EPHX2KMT2AMEN1
SCHEMBL18868425 0.87 EPHX2 (0.78) RAB9ASMN1; SMN2EPHX2KMT2AMEN1
SCHEMBL25442568 0.86 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL12215290 0.86 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL5863585 0.86 NPC1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
SCHEMBL9977905 0.86 ALDH1A1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2EPHX2
Hydrochloric Acid SCHEMBL30918901 0.85 EPHX2 (0.76) RAB9ASMN1; SMN2EPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372532-C Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
CN-1780617-A Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR NPC1 2964/4885RAB9A 2168/4885ALDH1A1 2894/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR NPC1 2353/4885RAB9A 2946/4885ALDH1A1 2221/4885

“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.