SCHEMBL10016524

SCHEMBL10016524

Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 19/20 1.00
▸ MAPT P10636 15/20 1.00
▸ MAPK1 P28482 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ TP53 P04637 3/20 0.89
▸ TSHR P16473 2/20 0.89
▸ L3MBTL1 Q9Y468 1/20 0.89
▸ TDP1 Q9NUW8 3/20 0.72
▸ PKM P14618 5/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ ALOX15 P16050 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ MEN1 O00255 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ THRB P10828 2/20 0.64

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
SCHEMBL2253692 0.84 GAA (0.75) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2254340 0.82 GAA (0.71) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10077283 0.80 GAA (1.00) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2258181 0.80 GAA (0.73) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2250466 0.76 GAA (0.69) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2256809 0.76 GAA (0.68) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2248379 0.76 GAA (0.76) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2250445 0.76 GAA (0.71) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10077270 0.74 GAA (1.00) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2251736 0.71 GAA (0.69) GAAMAPTMAPK1ALDH1A1SMN1; SMN2

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 GAA 1241/4885MAPT 4079/4885MAPK1 2787/4885
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same AGO2, RNASE1, TRDMT1 GAA 1241/4885MAPT 4079/4885MAPK1 2787/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 GAA 1241/4885MAPT 4079/4885MAPK1 2787/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 GAA 1241/4885MAPT 4079/4885MAPK1 2787/4885

“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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