SCHEMBL2428264

SCHEMBL2428264

Nc1ccc(Cc2ccc(N3C=Nc4ccccc4C3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR6 P50406 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 4/20 0.33

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
SCHEMBL12230602 0.89 NPSR1 (0.53) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL2425683 0.88 RAB9A (0.57) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL29417850 0.78 NPC1 (0.96) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL2424631 0.78 NPC1 (0.96) NPC1RAB9AHPGDSMN1; SMN2NPSR1
Formaldehyde SCHEMBL27861058 0.74 NPC1 (0.87) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL28019337 0.71 NPC1 (0.73) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL7512518 0.67 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2NPSR1
SCHEMBL5008184 0.65 NPC1 (0.55) NPC1RAB9AHPGDSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5010650 0.63 NPC1 (0.58) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11843077 0.63 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853443-B2 Process for preparing an isocyanate BASF SE (DE) 2014-10-07 US disclosed
US-8853443-B2 Process for preparing an isocyanate BASF SE (DE) 2014-10-07 US disclosed
US-8853443-B2 Process for preparing an isocyanate BASF SE (DE) 2014-10-07 US disclosed
EP-2367783-B1 METHOD FOR PRODUCING AN ISOCYANATE BASF SE (DE) 2013-01-09 EP disclosed
EP-2367783-B1 METHOD FOR PRODUCING AN ISOCYANATE BASF SE (DE) 2013-01-09 EP disclosed
US-20110263892-A1 PROCESS FOR PREPARING AN ISOCYANATE BASF SE (DE) 2011-10-27 US disclosed
US-20110263892-A1 PROCESS FOR PREPARING AN ISOCYANATE BASF SE (DE) 2011-10-27 US disclosed
US-20110263892-A1 PROCESS FOR PREPARING AN ISOCYANATE BASF SE (DE) 2011-10-27 US disclosed
EP-2367783-A1 METHOD FOR PRODUCING AN ISOCYANATE BASF SE (DE) 2011-09-28 EP disclosed
WO-2010057909-A1 METHOD FOR PRODUCING AN ISOCYANATE BASF SE (DE) 2010-05-27 WO disclosed
WO-2010057909-A1 METHOD FOR PRODUCING AN ISOCYANATE BASF SE (DE) 2010-05-27 WO 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-20110263892-A1 PROCESS FOR PREPARING AN ISOCYANATE IDH1, IDH2, GMNN NPC1 3131/4885RAB9A 2291/4885HPGD 15/4885

“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.