SCHEMBL330400

SCHEMBL330400

CC(=O)c1sc(N)nc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 2/20 0.63
GAA P10253 2/20 0.63
CYP1A2 P05177 3/20 0.59
MAPT P10636 3/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.57
PKM P14618 2/20 0.56
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
RXFP1 Q9HBX9 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RORB Q92753 1/20 0.51

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
SCHEMBL2762916 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL27653923 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10POLBGAACYP1A2
Hydrochloric Acid SCHEMBL27583076 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL2521905 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL28719279 0.84 POLB (0.66) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL27583074 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL19669120 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL30218360 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL165773 0.82 ADORA3 (0.61) ALDH1A1HSD17B10POLBGAACYP1A2
SCHEMBL10242392 0.81 KMT2A (0.58) ALDH1A1HSD17B10CYP1A2CYP2C19NPC1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN disclosed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALDH1A1 3761/4885HSD17B10 2891/4885POLB 1683/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885HSD17B10 632/4885POLB 2946/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALDH1A1 3761/4885HSD17B10 2891/4885POLB 1683/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ALDH1A1 1025/4885HSD17B10 704/4885POLB 798/4885

“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.