SCHEMBL14903961

SCHEMBL14903961

Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2nc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 9/20 0.48
▸ CD274 Q9NZQ7 9/20 0.48
▸ PSMB5 P28074 3/20 0.40
▸ TSHR P16473 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ VSIR Q9H7M9 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL14903952 0.84 PSMB5 (0.40) PDCD1CD274PSMB5TSHRALDH1A1
SCHEMBL12074884 0.81 PDGFRB (0.45) PDCD1CD274PSMB5TSHRALDH1A1
SCHEMBL12074760 0.79 CD274 (0.40) PDCD1CD274PSMB5TSHRALDH1A1
SCHEMBL14926984 0.77 PDCD1 (0.47) PDCD1CD274TSHRALDH1A1CYP1A2
SCHEMBL14903976 0.77 PDCD1 (0.53) PDCD1CD274PSMB5CYP1A2VSIR
SCHEMBL14903970 0.75 PDE10A (0.40) TSHRALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL14903962 0.74 CD274 (0.46) PDCD1CD274
SCHEMBL14926982 0.68 CD274 (0.45) PDCD1CD274
SCHEMBL28019424 0.68 PSMB5 (0.54) PSMB5TSHRALDH1A1KDM4ECYP1A2
SCHEMBL358303 0.67 CD274 (1.00) PDCD1CD274ALDH1A1HSD17B10

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 2 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

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 PDCD1 4650/4885CD274 4594/4885PSMB5 3649/4885

“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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