SCHEMBL9963482

SCHEMBL9963482

Clc1nc2cc3nc(Cl)sc3cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 3/20 0.47
GAA P10253 4/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8100695 0.85 KMT2A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL16867265 0.84 KMT2A (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1748026 0.81 GAA (0.63) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL780242 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9188527 0.77 NPC1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL19709633 0.75 ILK (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL12041944 0.75 KMT2A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL29501425 0.75 KMT2A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10786161 0.73 IDO1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31456653 0.73 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 SMN1; SMN2 251/4885NPC1 93/4885RAB9A 696/4885

“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.