SCHEMBL470841

SCHEMBL470841

BCOc1ccc([N+](=O)[O-])c(NC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HCAR3 P49019 1/20 0.40
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIRT5 Q9NXA8 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
SCHEMBL471095 0.86 MAPT (0.63) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL4011443 0.84 MAPT (0.65) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL29392600 0.82 MAPT (0.49) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL111211 0.82 MAPT (0.49) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL13211382 0.82 MAPT (0.53) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL3249779 0.81 SMN1; SMN2 (0.49) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL2654219 0.81 ALDH1A1 (0.45) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL15064772 0.81 MAPT (0.48) MAPTKMT2AALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL9760985 0.81 MAPT (0.48) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL487216 0.81 AKR1C3 (0.57) MAPTKMT2AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-08 US disclosed
US-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-08 US disclosed
EP-2615081-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033091-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS 第一三共株式会社 (JP) 2012-03-15 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-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS HPD, CYP2B6, PAH MAPT 2785/4885KMT2A 825/4885ALDH1A1 379/4885

“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.