SCHEMBL15305677

SCHEMBL15305677

COc1cc(NC(=O)c2ccc(NC=O)cc2)nc(NC(=O)c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ CDK1 P06493 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PLAU P00749 4/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL15308166 0.90 NPC1 (0.59) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL15305674 0.85 PLAU (0.39) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL15305685 0.85 KMT2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL15308197 0.79 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL15305681 0.79 RAB9A (0.60) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL15308198 0.79 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL821789 0.79 RAB9A (0.60) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL823170 0.79 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL821769 0.77 KMT2A (0.64) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL10084355 0.77 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2NFKB1

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
US-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 — — US disclosed
US-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2016-06-09 — — US disclosed
US-9296877-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2016-03-29 — — US disclosed
US-20140363588-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-12-11 — — US disclosed
US-8871314-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2014-10-28 — — US disclosed
US-20130266744-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND FUJIFILM CORPORATION (JP) 2013-10-10 — — 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-20160159750-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND PYM1, CNKSR1, MYB NPC1 4563/4885RAB9A 1000/4885TP53 2450/4885
US-20140363588-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND COMPOUND PYM1, CNKSR1, MYB NPC1 4646/4885RAB9A 1056/4885TP53 2332/4885

“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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