SCHEMBL4506889

SCHEMBL4506889

NC(=S)Nc1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GRIK1 P39086 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL3068361 0.84 GRIK1 (0.49) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1205134 0.83 AOC3 (0.43) AOC3MAPTPOLBALDH1A1KDM4E
SCHEMBL4506884 0.82 GRIK1 (0.45) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3082016 0.82 GRIK1 (0.45) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL927313 0.82 AOC3 (0.46) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5493171 0.82 KDM4E (0.51) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8118597 0.78 KDM4E (0.45) AOC3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6594089 0.77 KDM4E (0.46) AOC3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9269321 0.76 GRIK1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2GRIK1
SCHEMBL3073852 0.75 GRIK1 (0.45) AOC3MAPTALDH1A1KDM4ESMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-16 — — US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 — — US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 — — EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 — — WO disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
US-20060166896-A1 Novel indazole peptidomimetics as thrombin receptor antagonists ZHANG HAN-CHENG 2006-07-27 — — US disclosed
US-20060166897-A1 Novel indazole peptidomimetics as thrombin receptor antagonists ZHANG HAN-CHENG 2006-07-27 — — US disclosed
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 — — EP disclosed
US-6451839-B1 Indole sPLA2 inhibitors ELI LILLY AND COMPANY 2002-09-17 — — US disclosed
US-20020107204-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering benzimidazolone peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-08-08 — — US disclosed
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-08-01 — — US disclosed
US-20020037860-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indazole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-03-28 — — US disclosed
EP-1100492-A4 INDOLE sPLA 2? INHIBITORS LILLY CO ELI (US) 2001-10-24 — — EP disclosed
EP-1100492-A1 INDOLE sPLA 2? INHIBITORS Eli Lilly & Company (US) 2001-05-23 — — EP disclosed
WO-2001000659-A1 BENZIMIDAZOLONE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 — — WO disclosed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 — — WO disclosed
WO-2001000656-A2 NOVEL INDAZOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 — — WO disclosed
WO-2000007590-A1 INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-02-17 — — 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 (7 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-20020107204-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering benzimidazolone peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, F2RL3 AOC3 3358/4885MAPT 4237/4885POLB 4215/4885
US-20020037860-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indazole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, F2RL3 AOC3 3367/4885MAPT 1810/4885POLB 4283/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 AOC3 3864/4885MAPT 156/4885POLB 2723/4885
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, IDO2 AOC3 3198/4885MAPT 3611/4885POLB 4314/4885
US-20060166896-A1 Novel indazole peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 AOC3 3776/4885MAPT 1996/4885POLB 4442/4885
US-20060166897-A1 Novel indazole peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 AOC3 3776/4885MAPT 1996/4885POLB 4442/4885
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 TLR4, TLR3, TLR6 AOC3 4590/4885MAPT 3892/4885POLB 4380/4885

“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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