SCHEMBL19684328

SCHEMBL19684328

Cn1c2ccccc2c2ccc3c4ccccc4n(I)c3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.56
FTO Q9C0B1 1/20 0.56
GPR3 P46089 1/20 0.56
HSP90AA1 P07900 1/20 0.49
IDO1 P14902 1/20 0.49
KDM4E B2RXH2 8/20 0.46
HPGD P15428 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.46
KIF11 P52732 1/20 0.42
LIMK1 P53667 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 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
SCHEMBL19782040 0.88 GPR3 (0.44) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL3423943 0.88 GPR3 (0.71) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL22883538 0.84 ALKBH5 (0.56) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL13564071 0.83 GPR3 (0.71) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL24982320 0.82 ALKBH5 (0.50) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL16376455 0.79 GPR3 (0.70) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL19417230 0.76 ALKBH5 (0.47) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL18435756 0.76 GPR3 (0.38) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL18416292 0.76 ALKBH5 (0.60) ALKBH5FTOGPR3HSP90AA1IDO1
SCHEMBL19937027 0.74 ALKBH5 (0.63) ALKBH5FTOGPR3KDM4EHPGD

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-9966542-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
US-20170352815-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-12-07 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-20170352815-A1 ELECTROACTIVE MATERIALS HCN1, HCN3, NDUFC1 ALKBH5 1838/4885FTO 1941/4885GPR3 2009/4885

“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.