SCHEMBL17765425

SCHEMBL17765425

IC1[CH]c2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PLAU P00749 1/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL17765413 0.77 PLAU (0.38) IDO1CYP11B2PLAUTSHR
SCHEMBL151547 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL22554804 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL1702930 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL6143052 0.71 IDO1 (0.43) IDO1PLAU
SCHEMBL23457245 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL2853835 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL583647 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL1040813 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL9532783 0.69 DRD3 (0.39) IDO1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 WO disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 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 (3 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-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS OR51E2, OR10J3, ORC3 IDO1 1939/4885KDM4E 3226/4885L3MBTL1 3114/4885
US-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 IDO1 1089/4885KDM4E 4286/4885L3MBTL1 4769/4885
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 IDO1 4535/4885KDM4E 1836/4885L3MBTL1 3324/4885

“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.