SCHEMBL18258133

SCHEMBL18258133

Cc1cc2cccc3c2n1CCCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.43
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PIK3CA P42336 7/20 0.36
BCL2L1 Q07817 2/20 0.34
BCL2 P10415 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
MAP3K14 Q99558 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL18258200 0.90 MCL1 (0.48) MCL1HTR2AHTR2CPIK3CABCL2L1
SCHEMBL20532732 0.79 MCL1 (0.36) MCL1HTR2AHTR2CPIK3CABCL2L1
SCHEMBL9811408 0.71 MCL1 (0.60) MCL1HTR2AHTR2CBCL2HSD17B10
SCHEMBL18202252 0.70 PARP1 (0.40) MCL1HTR2AHTR2CBCL2L1BCL2
SCHEMBL20532568 0.69 MCL1 (0.41) MCL1HTR2AHTR2CPIK3CABCL2L1
SCHEMBL18258131 0.67 SMN1; SMN2 (0.35) HSD17B10USP2ALDH1A1HPGDMEN1
SCHEMBL9700303 0.66 ADRA2A (0.46) USP2
SCHEMBL9700179 0.66 ADRA2A (0.43) USP2
SCHEMBL9699318 0.65 ADRA2A (0.48) USP2
SCHEMBL9700209 0.65 CNR1 (0.46) ALDH1A1MEN1CYP3A4CYP2C9CNR1

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.