SCHEMBL13196814

SCHEMBL13196814

O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ ENPP1 P22413 1/20 0.56
▸ HPGD P15428 3/20 0.55
▸ LMNA P02545 4/20 0.54
▸ TP53 P04637 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ POLB P06746 3/20 0.54
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TDP1 Q9NUW8 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL26534954 0.78 MAPT (0.62) MAPTALDH1A1ENPP1HPGDLMNA
SCHEMBL7944975 0.74 MEN1 (0.74) MAPTALDH1A1HPGDLMNAPKM
SCHEMBL5798106 0.73 TDP1 (0.60) MAPTALDH1A1HPGDLMNATP53
SCHEMBL21663585 0.72 ENPP1 (0.79) MAPTALDH1A1ENPP1HPGDLMNA
SCHEMBL30675573 0.72 ENPP1 (1.00) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL20679588 0.72 ENPP1 (1.00) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL15195155 0.71 RAB9A (0.59) MAPTALDH1A1HPGDLMNAPKM
SCHEMBL7933388 0.69 HDAC3 (0.71) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2406227 0.69 MAPT (0.58) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL16562029 0.69 HPGD (0.78) MAPTALDH1A1HPGDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210836-A1 SMALL MOLECULE INHIBITORS OF LYMPHOID TYROSINE PHOSPHATASE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-08-19 — — 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 (1 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-20100210836-A1 SMALL MOLECULE INHIBITORS OF LYMPHOID TYROSINE PHOSPHATASE PTPRCAP, PTPRC, PTPRA MAPT 2762/4885ALDH1A1 2982/4885ENPP1 172/4885

“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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