SCHEMBL10016358

SCHEMBL10016358

Nc1nc(CSCc2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ CREBBP Q92793 1/20 1.00
▸ PKM P14618 2/20 0.58
▸ KMT2A Q03164 3/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HTR6 P50406 4/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ HTR1A P08908 3/20 0.52
▸ HTR7 P34969 3/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ BRCA1 P38398 1/20 0.49
▸ HBB P68871 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL28061822 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL29441740 0.75 MAPT (0.62) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL12499681 0.73 PIK3CA (0.73) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL30192927 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL1396153 0.71 PKM (0.58) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL1443593 0.71 PIK3CA (0.61) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL27455517 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL8800916 0.70 HRH4 (0.70) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM
SCHEMBL14128251 0.69 LMNA (0.83) SMN1; SMN2ALDH1A1PKMKMT2ANPSR1
SCHEMBL23317933 0.69 PKM (0.55) SMN1; SMN2ALDH1A1RAB9ACREBBPPKM

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 9 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
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 SMN1; SMN2 3647/4885ALDH1A1 3478/4885RAB9A 2435/4885
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885ALDH1A1 3478/4885RAB9A 2435/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885ALDH1A1 3478/4885RAB9A 2435/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885ALDH1A1 3478/4885RAB9A 2435/4885

“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.

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