SCHEMBL15031958

SCHEMBL15031958

COc1cc(-c2cc(F)cc(F)c2)ccc1OBO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.46
▸ ABCB1 P08183 4/20 0.43
▸ ERN1 O75460 2/20 0.41
▸ ABCC1 P33527 3/20 0.40
▸ PDGFRB P09619 4/20 0.39
▸ PDGFRA P16234 4/20 0.39
▸ FYN P06241 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17752364 0.88 PDGFRB (0.52) KITPDGFRBPDGFRAFYNALDH1A1
SCHEMBL12268833 0.81 NFE2L2 (0.44) ERN1PDGFRBPDGFRACYP3A4TSHR
SCHEMBL16303551 0.76 FPR2 (0.36) KITABCB1ERN1ABCC1PDGFRB
SCHEMBL16437067 0.74 FFAR1 (0.46) ERN1PDGFRBPDGFRACYP3A4
SCHEMBL17752358 0.74 SCN9A (0.37) KITABCB1ALDH1A1
SCHEMBL15010355 0.73 ENPP2 (0.44) KITABCB1ERN1ABCC1PDGFRB
SCHEMBL15011357 0.73 KIT (0.44) KITABCB1ERN1ABCC1FYN
SCHEMBL16311804 0.73 ABCB1 (0.43) KITABCB1ERN1ABCC1PDGFRB
SCHEMBL7112672 0.72 ABCB1 (0.40) KITABCB1ERN1ABCC1
SCHEMBL8402696 0.72 CA12 (0.65) ALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 — — US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 — — 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 (2 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-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B KIT 4034/4885ABCB1 156/4885ERN1 3075/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A KIT 3135/4885ABCB1 292/4885ERN1 3722/4885

“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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