SCHEMBL961555

SCHEMBL961555

Cc1cn(-c2ccc([N+](=O)[O-])cc2F)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
S1PR4 O95977 1/20 0.43
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM5 P41594 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL14887377 0.84 PTGS2 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3836024 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1617550 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL4012852 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7081345 0.75 MAPT (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL962723 0.75 GRM5 (0.42) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL27484245 0.74 FGFR1 (0.50) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16017444 0.73 MAPT (0.62) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL2627211 0.73 HTT (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6199135 0.72 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB

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
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 ALDH1A1 1819/4885KMT2A 4488/4885LMNA 1290/4885

“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.