SCHEMBL178376

SCHEMBL178376

COCC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
RAB9A P51151 5/20 0.66
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL14962804 0.87 HPGD (0.81) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2091479 0.82 HPGD (0.70) HPGDSMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL853933 0.82 HPGD (0.70) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13471890 0.81 SMN1; SMN2 (0.68) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL178525 0.81 HPGD (0.68) HPGDSMN1; SMN2ALDH1A1MAPTALOX12
SCHEMBL1976948 0.80 HPGD (0.71) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL104611 0.80 SMN1; SMN2 (0.67) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL764569 0.80 HPGD (0.71) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22854085 0.80 HPGD (0.71) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL12545584 0.80 SMN1; SMN2 (0.67) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HPGD 4110/4885SMN1; SMN2 4581/4885RAB9A 3030/4885
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 HPGD 1517/4885SMN1; SMN2 1197/4885RAB9A 2145/4885

“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.