SCHEMBL2116026

SCHEMBL2116026

O=C(O)c1nc2c(F)cccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
GAA P10253 7/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
PRNP P04156 1/20 0.53
PKM P14618 2/20 0.52
MAPT P10636 3/20 0.50
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
HTR2C P28335 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL3060022 0.85 SMN1; SMN2 (0.57) SMN1; SMN2GAARAB9ANPC1KDM4E
SCHEMBL6980098 0.85 HTR2C (0.53) SMN1; SMN2GAARAB9ANPC1KDM4E
SCHEMBL29929393 0.81 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL2212181 0.79 ALDH1A1 (0.54) SMN1; SMN2GAARAB9ANPC1KDM4E
SCHEMBL3640930 0.79 MAPT (0.46) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL3627491 0.79 DYRK1A (0.39) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6978735 0.77 GAA (0.48) SMN1; SMN2GAARAB9ANPC1KDM4E
SCHEMBL20893420 0.77 MEN1 (0.53) SMN1; SMN2GAARAB9ANPC1MEN1
SCHEMBL1043301 0.77 DYRK1A (0.61) SMN1; SMN2GAARAB9ANPC1KDM4E
SCHEMBL6979685 0.76 GAA (0.47) SMN1; SMN2GAARAB9ANPC1KDM4E

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-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 SMN1; SMN2 2003/4885GAA 4086/4885RAB9A 188/4885

“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.