SCHEMBL18258200

SCHEMBL18258200

Cc1cc2cccc3c2n1CCO3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.48
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PIK3CA P42336 5/20 0.38
PIK3CB P42338 5/20 0.38
PIK3CG P48736 5/20 0.38
BCL2L1 Q07817 2/20 0.38
BCL2 P10415 1/20 0.38
LIPG Q9Y5X9 3/20 0.36
NOTUM Q6P988 1/20 0.35
PIK3CD O00329 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CFTR P13569 1/20 0.34
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL18258133 0.90 MCL1 (0.43) MCL1HTR2AHTR2CPIK3CABCL2L1
SCHEMBL20532568 0.78 MCL1 (0.41) MCL1HTR2AHTR2CPIK3CAPIK3CB
SCHEMBL29476290 0.71 MCL1 (0.41) MCL1HTR2AHTR2CPIK3CAPIK3CB
SCHEMBL11223973 0.70 MCL1 (0.52) MCL1HTR2AHTR2CPIK3CAPIK3CB
SCHEMBL20532732 0.69 MCL1 (0.36) MCL1HTR2AHTR2CPIK3CABCL2L1
SCHEMBL18258131 0.69 SMN1; SMN2 (0.35)
SCHEMBL2038155 0.68 PARP1 (0.41) MCL1HTR2AHTR2CBCL2L1BCL2
SCHEMBL30023373 0.68 PARP1 (0.41) MCL1HTR2AHTR2CBCL2L1BCL2
SCHEMBL979553 0.67 HTR2A (0.40) MCL1HTR2AHTR2CPIK3CAPIK3CB
SCHEMBL9811408 0.67 MCL1 (0.60) MCL1HTR2AHTR2CBCL2LIPG

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
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MCL1 884/4885HTR2A 4841/4885HTR2C 4706/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 MCL1 884/4885HTR2A 4841/4885HTR2C 4706/4885

“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.