SCHEMBL18912380

SCHEMBL18912380

Cc1nnc(-c2ccccc2Cl)n1C

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.81
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2747473 0.90 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL10942013 0.81 HSD11B1 (0.76) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2748146 0.81 HSD11B1 (0.82) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2746814 0.80 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL21303108 0.80 HSD11B1 (0.52) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18905854 0.79 HSD11B1 (0.71) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL2747350 0.79 HSD11B1 (0.83) HSD11B1
SCHEMBL9226272 0.79 HSD11B1 (0.71) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL14006043 0.78 HSD11B1 (0.83) HSD11B1ALDH1A1LMNAHPGD
SCHEMBL14077015 0.77 HSD11B1 (0.58) HSD11B1

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-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 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-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 HSD11B1 401/4885ALDH1A1 1113/4885NPC1 776/4885

“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.