SCHEMBL15907194

SCHEMBL15907194

CC(=O)c1cccc(NC(=O)c2cc(Br)c(C)cn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ TP53 P04637 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL18323503 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL13210583 0.80 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL15907179 0.78 RAB9A (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL15907219 0.78 MTOR (0.57) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL20934640 0.74 NPC1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL20102643 0.73 NPC1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11534377 0.73 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL13210704 0.72 KMT2A (0.81) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5974770 0.72 KMT2A (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18844027 0.71 KMT2A (0.74) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 — — 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 ALDH1A1 3414/4885SMN1; SMN2 2627/4885NPC1 3370/4885

“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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