SCHEMBL3798737

SCHEMBL3798737

Nc1cc[c]c(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 6/20 0.41
ALOX15 P16050 2/20 0.41
POLB P06746 1/20 0.41
APP P05067 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL3277951 0.84 APP (0.44) ALDH1A1MAPTLMNACYP3A4CA12
SCHEMBL5858235 0.80 ACHE (0.50) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL5925388 0.80 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14880632 0.80 HSPB1 (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8531848 0.76 APP (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9598398 0.76 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1820545 0.76 VCAM1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7679534 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNACYP3A4MEN1
SCHEMBL28814923 0.74 PDE7A (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2935620 0.74 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 ALDH1A1 3083/4885MAPT 4818/4885LMNA 3106/4885

“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.