SCHEMBL4092984

SCHEMBL4092984

Cc1c(C(C)N)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 1/20 0.38
MAOA P21397 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL21358498 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL13799991 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL24756284 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL10129515 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL5071042 0.81 EYA3 (0.48) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL24757829 0.79 CA2 (0.37) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL13654136 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL2845026 0.78 KDM4E (0.39) KDM4EALDH1A1TSHRHTTCHRM2
SCHEMBL2845027 0.78 KDM4E (0.39) KDM4EALDH1A1TSHRHTTCHRM2
SCHEMBL4095188 0.77 ABCB1 (0.54) KDM4EALDH1A1TSHRHTTRECQL

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
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 WO disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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 (1 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI KDM4E 3209/4885ALDH1A1 2669/4885HPGD 174/4885

“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.