SCHEMBL744617

SCHEMBL744617

CC(C)(C)c1nnc(CO)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
GLS O94925 1/20 0.31
PAX8 Q06710 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL10285896 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL19370115 0.77 CA1 (0.40) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL2540881 0.77 MEN1 (0.38) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL12503454 0.76 KMT2A (0.41) SMN1; SMN2MEN1CYP1A2KMT2ACA1
SCHEMBL22966747 0.75 GSR (0.39) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL8770450 0.74
Hydrochloric Acid SCHEMBL3710557 0.72 CA1 (0.37) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL13855709 0.71 CYP1A2 (0.42) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL15939753 0.71 SMN1; SMN2 (0.45) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL22966587 0.70 SMN1; SMN2 (0.37) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
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
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
US-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 US disclosed
US-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 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 (2 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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase SCD, SCD5, SREBF1 SMN1; SMN2 2794/4885MEN1 4613/4885CYP1A2 381/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 SMN1; SMN2 2003/4885MEN1 1554/4885CYP1A2 1188/4885

“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.