SCHEMBL10143989

SCHEMBL10143989

COc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 9/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ USP2 O75604 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ POLB P06746 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.57
▸ HDAC1 Q13547 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
SCHEMBL6811289 0.79 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2RAB9ACYP1A2
SCHEMBL6484950 0.78 MAPK14 (0.64) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7710629 0.77 KDM4E (0.66) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30772487 0.76 GRM4 (1.00) GRM4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6811297 0.76 KMT2A (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27497055 0.76 KMT2A (0.57) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2183241 0.75 MAPT (0.76) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9415806 0.73 NR1H4 (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL20601662 0.73 PYGL (0.82) GRM4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL28577355 0.73 GRM5 (0.65) GRM4ALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 — — 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 GRM4 2466/4885ALDH1A1 2125/4885MAPT 2982/4885

“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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