SCHEMBL21335595

SCHEMBL21335595

CCn1c(C)cc2ccc(OC)c(OC)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
NQO2 P16083 1/20 0.42
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL18258134 0.84 CYP19A1 (0.37) CYP19A1NQO2KDM4EHSD17B10HTT
SCHEMBL18247727 0.80 CYP19A1 (0.40) CYP19A1NQO2MAPTALDH1A1GAA
SCHEMBL21335586 0.78 CCR2 (0.43) CYP19A1NQO2KDM4EHSD17B10MAPT
SCHEMBL18247494 0.71 TUBB4A (0.44) CYP19A1NQO2KDM4EHSD17B10HTT
SCHEMBL9581208 0.66 ALDH1A1 (0.43) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL29953247 0.65 CYP19A1 (0.43) CYP19A1NQO2KDM4EHSD17B10MAPT
SCHEMBL11005495 0.64 GRIK2 (0.61) KDM4EHSD17B10MAPTALDH1A1KMT2A
SCHEMBL20505062 0.64 HASPIN (0.46) CYP19A1NQO2KDM4EMAPTLMNA
SCHEMBL30701949 0.63 CA9 (0.50) CYP19A1KDM4EMAPTALDH1A1KMT2A
SCHEMBL3674074 0.63 CA9 (0.50) CYP19A1KDM4EMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP19A1 1465/4885NQO2 323/4885KDM4E 532/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 CYP19A1 1465/4885NQO2 323/4885KDM4E 532/4885

“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.