SCHEMBL22010458

SCHEMBL22010458

CC(C)(C)Nc1ccc(CNC(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK1 Q13546 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
F7 P08709 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL27113744 0.95 RORC (0.36) EPHX2NR1H4NPC1POLBRAB9A
SCHEMBL27113497 0.82 EPHX2 (0.41) EPHX2NR1H4RAB9ACA1CA2
Hydrochloric Acid SCHEMBL7416932 0.81 CYP2C9 (0.54) EPHX2NR1H4NPC1RAB9ACA1
SCHEMBL27113742 0.81 SYK (0.40) EPHX2NR1H4ALDH1A1
SCHEMBL3672272 0.81 CYP2C9 (0.48) POLBCA1CA2CYP2C9CYP2C19
SCHEMBL23135392 0.80 ADRA2A (0.41) NPC1POLBRAB9ASMN1; SMN2CA1
SCHEMBL11981491 0.80 IDO1 (0.52) POLBRAB9ASMN1; SMN2CA1CA2
SCHEMBL11954 0.79 EPHX2 (0.59) EPHX2NR1H4NPC1RAB9ACA1
SCHEMBL14524510 0.78 NPC1 (0.44) NPC1POLBRAB9ASMN1; SMN2CYP2C9
SCHEMBL27113808 0.78 HTT (0.39) EPHX2NR1H4RAB9ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-05-21 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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS NGLY1, GLMN, GMPS EPHX2 3509/4885NR1H4 2684/4885NPC1 3272/4885

“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.