SCHEMBL21282206

SCHEMBL21282206

COc1ccc2nc(N(C)c3ccc(OC)nc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 3/20 0.48
▸ NCF1 P14598 1/20 0.46
▸ NQO1 P15559 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ APP P05067 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ PDGFRA P16234 3/20 0.38
▸ KIT P10721 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ PDGFRB P09619 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL30301243 0.77 NCF1 (0.59) NCF1NQO1EGFRAPPNPC1
SCHEMBL9420844 0.77 NCF1 (0.59) NCF1NQO1EGFRAPPNPC1
SCHEMBL21282159 0.71 FYN (0.49) NCF1NQO1PDGFRADHFRNPC1
Pyrimidine SCHEMBL11293693 0.69 NCF1 (0.49) NCF1NQO1EGFRAPPPDGFRA
SCHEMBL13127338 0.68 MAPT (0.65) NCF1NQO1EGFRAPPPDGFRA
SCHEMBL19965670 0.68 OXTR (0.49) OXTRPDGFRAPDGFRBALDH1A1
Hydrochloric Acid SCHEMBL10811605 0.67 PDGFRB (0.54) NCF1NQO1EGFRAPPHPGDS
SCHEMBL873094 0.67 NCF1 (0.62) NCF1NQO1EGFRHPGDSNPC1
SCHEMBL5182975 0.66 OXTR (0.44) OXTRNPC1RAB9A
SCHEMBL3816388 0.65 NNMT (0.48) ALDH1A1

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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2019-08-22 — — 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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 OXTR 3886/4885NCF1 1403/4885NQO1 909/4885

“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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