SCHEMBL7931736

SCHEMBL7931736

Cc1nc(NC(=O)CS)nc(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL7932287 0.67 CYP1A2 (0.60) MAPTALDH1A1POLBKMT2A
SCHEMBL7932221 0.67 GAA (0.46) MAPTPOLBKMT2AGAA
SCHEMBL14513749 0.66 MAPT (0.52) MAPTALDH1A1L3MBTL1MEN1POLB
SCHEMBL7923981 0.66 CYP1A2 (0.64) MAPTALDH1A1KMT2AGAA
SCHEMBL7923960 0.65 TSHR (0.56) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL7932537 0.65 MAPT (0.36) MAPTALDH1A1L3MBTL1MEN1POLB
SCHEMBL7924716 0.63 EPHX2 (0.46) ALDH1A1L3MBTL1MEN1POLBKMT2A
SCHEMBL12354892 0.63 MAPT (0.54) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14706944 0.62 SMN1; SMN2 (0.61) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL7923569 0.62 ADORA3 (0.40) MAPTALDH1A1L3MBTL1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — WO 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 MAPT 1781/4885ALDH1A1 496/4885L3MBTL1 2203/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885ALDH1A1 2213/4885L3MBTL1 3533/4885

“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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