SCHEMBL13017142

SCHEMBL13017142

CC(C)Cc1ccc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 2/20 0.41
GRM2 Q14416 2/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TGFBR1 P36897 4/20 0.36
TRPV3 Q8NET8 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GABRA1 P14867 2/20 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
SCHEMBL13017141 0.88 GRM2 (0.45) CYP11B1CYP11B2GRM2S1PR1S1PR3
SCHEMBL13062796 0.83 CYP11B1 (0.44) CYP11B1CYP11B2GRM2NPC1TP53
SCHEMBL13017159 0.83 GRM2 (0.41) CYP11B1CYP11B2GRM2NPC1TP53
SCHEMBL13017155 0.82 CYP11B1 (0.56) CYP11B1CYP11B2GRM2NPC1RAB9A
SCHEMBL28115690 0.77 L3MBTL1 (0.39) CYP11B1CYP11B2TGFBR1TRPV3L3MBTL1
SCHEMBL25636541 0.77 CCR1 (0.41) NPC1RAB9ASMN1; SMN2S1PR1S1PR3
SCHEMBL19398968 0.72 BRS3 (0.48) CYP11B1CYP11B2NPC1TP53PKM
SCHEMBL24395115 0.72 SMN1; SMN2 (0.48) CYP11B1CYP11B2NPC1TP53RAB9A
SCHEMBL14018473 0.71 KDM1A (0.44) TGFBR1L3MBTL1CASP3SENP8SENP7
SCHEMBL13017139 0.71 KDM1A (0.43) CYP11B1CYP11B2GRM2NPC1TP53

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-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A CYP11B1 217/4885CYP11B2 202/4885GRM2 2347/4885

“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.