SCHEMBL12074884

SCHEMBL12074884

COc1cc2cc(-c3cccc(-c4ccccc4)c3C)c(N(C)C)nc2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.45
▸ PDGFRA P16234 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 2/20 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
SCHEMBL12074760 0.91 CD274 (0.40) PDGFRBPDGFRASMN1; SMN2ALDH1A1MAPT
SCHEMBL12074882 0.82 PDGFRB (0.52) PDGFRBPDGFRASMN1; SMN2ALDH1A1GLA
SCHEMBL14903961 0.81 PDCD1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL12070517 0.77 USP2 (0.44) SMN1; SMN2ALDH1A1GLAGAAMAPT
SCHEMBL12074762 0.77 PDE10A (0.43) PDGFRBPDGFRASMN1; SMN2ALDH1A1GLA
SCHEMBL12074044 0.77 PDGFRB (0.72) PDGFRBPDGFRASMN1; SMN2ALDH1A1GLA
SCHEMBL14903970 0.71 PDE10A (0.40) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL16383319 0.69 ACACA (0.38) SMN1; SMN2ALDH1A1HSD17B10LMNAACACA
SCHEMBL1083830 0.67 WHR1 (0.69) PDGFRBPDGFRASMN1; SMN2ALDH1A1GLA
SCHEMBL4477977 0.67 CD274 (0.50) SMN1; SMN2ALDH1A1GAAMAPTHSD17B10

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PDGFRB 4726/4885PDGFRA 4382/4885SMN1; SMN2 3288/4885

“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.

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