SCHEMBL18258131

SCHEMBL18258131

Cc1cc2cccc3c2n1C(C)CO3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 11/20 0.33
CNR1 P21554 7/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP19A1 P11511 1/20 0.31
HTR6 P50406 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL18247463 0.80 SMN1; SMN2 (0.35) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL9700209 0.76 CNR1 (0.46) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL9700471 0.76 CNR2 (0.35) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL8069945 0.74 CNR1 (0.56) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL18247382 0.71 CNR2 (0.39) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL9012834 0.70 MPO (0.36) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL7385238 0.70 MPO (0.36) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL7388092 0.70 MPO (0.36) SMN1; SMN2CNR2CNR1MEN1KMT2A
SCHEMBL18258200 0.69 MCL1 (0.48)
SCHEMBL7394933 0.67 DAO (0.39) SMN1; SMN2CNR2CNR1

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 SMN1; SMN2 4198/4885CNR2 3410/4885CNR1 2414/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 SMN1; SMN2 4198/4885CNR2 3410/4885CNR1 2414/4885

“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.