SCHEMBL7962565

SCHEMBL7962565

O=C1c2ccccc2-c2ccc(CBr)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.63
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 5/20 0.63
LMNA P02545 4/20 0.63
MAPT P10636 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CYP1A2 P05177 2/20 0.55
PTPRC P08575 4/20 0.52
HSP90AB1 P08238 1/20 0.49
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
ELANE P08246 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CDC25B P30305 1/20 0.48
S100A4 P26447 3/20 0.47

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
SCHEMBL479017 0.98 NPC1 (0.66) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11547344 0.93 NPC1 (0.56) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7718941 0.88 NPC1 (0.64) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8849638 0.83 S100A4 (0.59) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5604805 0.82 NPC1 (0.61) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21416409 0.82 S100A4 (0.63) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6254969 0.80 NPC1 (0.63) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7318179 0.80 NPC1 (0.96) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9673967 0.80 NPC1 (0.63) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9209968 0.79 NPC1 (0.68) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1

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-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
WO-2011142838-A2 CHEMICALLY-RESISTANT COATING COMPOSITION LOMBARID JOHN L (US) 2011-11-17 WO disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed
US-5338875-A Boron containing intermediates useful in the preparation of carbapenems MERCK & CO., INC. (US) 1994-08-16 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-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L MAPK1 4146/4885NPC1 1763/4885RAB9A 2057/4885

“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.