SCHEMBL10016587

SCHEMBL10016587

O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
EPHX2 P34913 3/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.53
CNR2 P34972 1/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL16025535 0.85 POLB (0.48) USP2ALDH1A1HTTNPSR1LMNA
SCHEMBL5992323 0.83 USP2 (0.49) USP2ALDH1A1HTTNPSR1LMNA
SCHEMBL4080674 0.81 USP2 (0.65) USP2ALDH1A1HTTNPSR1LMNA
SCHEMBL3323416 0.78 ALDH1A1 (0.59) USP2ALDH1A1HTTNPSR1LMNA
SCHEMBL16026437 0.78 ALDH1A1 (0.83) ALDH1A1HTTNPSR1LMNAKDM4E
SCHEMBL12443646 0.74 LMNA (0.71) USP2EPHX2ALDH1A1HTTNPSR1
SCHEMBL13803782 0.72 CYP1A2 (0.83) ALDH1A1HTTNPSR1LMNAKDM4E
SCHEMBL1372144 0.72 ALDH1A1 (0.73) ALDH1A1HTTNPSR1LMNAKDM4E
SCHEMBL4037018 0.72 EPHX2 (0.73) EPHX2ALDH1A1HTTNPSR1LMNA
SCHEMBL3099181 0.72 ALDH1A1 (0.73) ALDH1A1HTTNPSR1LMNAKDM4E

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
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 US disclosed
WO-2013019469-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME THE WISTAR INSTITUTE (US) 2013-02-07 WO disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 US disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 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 (4 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-20100196357-A1 Microrna modulators and method for identifying and using the same AGO2, RNASE1, TRDMT1 USP2 1107/4885EPHX2 2968/4885ALDH1A1 3478/4885
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same AGO2, RNASE1, TRDMT1 USP2 1107/4885EPHX2 2968/4885ALDH1A1 3478/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 USP2 1107/4885EPHX2 2968/4885ALDH1A1 3478/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 USP2 1107/4885EPHX2 2968/4885ALDH1A1 3478/4885

“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.