SCHEMBL3474082

SCHEMBL3474082

O=c1cnc2ccccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 10/20 0.42
KDM4E B2RXH2 6/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 3/20 0.40
USP2 O75604 2/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
NR1I2 O75469 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3432545 0.87 TDP1 (0.43) TDP1ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL29662040 0.82 ALDH1A1 (0.58) POLBALDH1A1KDM4ETSHRHSD17B10
SCHEMBL28505268 0.82 ALDH1A1 (0.58) POLBALDH1A1KDM4ETSHRHSD17B10
SCHEMBL10944497 0.79 ALDH1A1 (0.53) L3MBTL1TDP1ALDH1A1KDM4ETSHR
SCHEMBL30050771 0.79 ALDH1A1 (0.53) L3MBTL1TDP1ALDH1A1KDM4ETSHR
SCHEMBL30139979 0.77 ALDH1A1 (0.55) POLBL3MBTL1TDP1NOD1ALDH1A1
SCHEMBL11392451 0.77 HDAC6 (0.47) ALDH1A1KDM4ETSHRHSD17B10LMNA
SCHEMBL4889518 0.77 ALDH1A1 (0.55) POLBL3MBTL1TDP1NOD1ALDH1A1
SCHEMBL28172288 0.74 HTT (0.66) ALDH1A1HPGD
SCHEMBL10955104 0.71 POLB (0.53) POLBL3MBTL1LMNATRPV4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 POLB 4689/4885L3MBTL1 3278/4885TDP1 3314/4885

“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.