SCHEMBL21793283

SCHEMBL21793283

Cc1ccc(-c2ccc(C=O)c(F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.49
PGR P06401 1/20 0.42
TNFRSF1A P19438 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD17B1 P14061 6/20 0.38
HSD17B2 P37059 6/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21774261 0.81 ERN1 (0.42) ERN1HSD17B1HSD17B2PIK3CDABL1
SCHEMBL21774307 0.81 PGR (0.42) ERN1PGRHSD17B1HSD17B2PIK3CD
SCHEMBL21793384 0.80 ERN1 (0.48) ERN1PGRTNFRSF1APTGS1PTGS2
SCHEMBL21774142 0.79 QPCT (0.41) ERN1HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL14817182 0.79 HSD17B1 (0.54) PGRPTGS1PTGS2HSD17B1HSD17B2
SCHEMBL13438461 0.77 PGR (0.46) ERN1PGRHSD17B1HSD17B2
SCHEMBL29828302 0.73 ERN1 (0.46) ERN1
SCHEMBL6040627 0.72 ERN1 (0.66) ERN1PGRTNFRSF1A
SCHEMBL27027638 0.72 PDE3B (0.44) PGRPTGS1PTGS2HSD17B1HSD17B2
SCHEMBL18267369 0.72 PGR (0.49) ERN1PGRTNFRSF1AHDAC3HDAC1

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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 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 (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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS ERN1 4218/4885PGR 3672/4885TNFRSF1A 4635/4885

“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.