SCHEMBL6433682

SCHEMBL6433682

COc1cc(Br)ccc1C(=O)NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
MAPT P10636 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TAAR1 Q96RJ0 1/20 0.60
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52

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
Phenethylamine SCHEMBL7704511 0.94 NPC1 (0.64) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL11472666 0.89 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL6430365 0.87 HPGD (0.70) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5156747 0.84 TAAR1 (0.74) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL28673069 0.83 MCHR1 (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5785199 0.82 NPC1 (0.67) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL21412050 0.80 ALDH1A1 (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11370704 0.79 DNMT3A (0.58) NPC1RAB9A
SCHEMBL11472253 0.79 HDAC1 (0.62) NPC1RAB9A
SCHEMBL2124884 0.79 NPC1 (0.59) NPC1RAB9AALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 NPC1 991/4885RAB9A 975/4885MAPT 3263/4885

“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.