SCHEMBL330233

SCHEMBL330233

Cc1n[c]sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
XDH P47989 1/20 0.48
BRD4 O60885 1/20 0.46
IKBKB O14920 1/20 0.43
PIN1 Q13526 1/20 0.42
KDM1A O60341 1/20 0.42
KMO O15229 2/20 0.42
SCN2A Q99250 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
IDO1 P14902 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL9954394 0.80 ACHE (0.38) SMN1; SMN2KMOKDM4EIDO1NOTUM
SCHEMBL9955638 0.79 RAB9A (0.42) ALDH1A1SMN1; SMN2PIN1KMOIDO1
SCHEMBL9955814 0.76 KMT2A (0.41) SMN1; SMN2PIN1KMOIDO1NOTUM
SCHEMBL468174 0.76 ALOX5 (0.41) ALDH1A1SMN1; SMN2BRD4KDM4ECYP1A2
SCHEMBL327568 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2XDHBRD4IKBKB
SCHEMBL695535 0.74 IKBKB (0.40) ALDH1A1SMN1; SMN2XDHBRD4IKBKB
SCHEMBL3755982 0.72 HSD11B1 (0.48) ALDH1A1KMONOTUMCYP1A2HPGD
SCHEMBL330359 0.72 BRD4 (0.51) ALDH1A1SMN1; SMN2XDHBRD4IKBKB
SCHEMBL5047008 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2XDHPIN1KMO
SCHEMBL17028871 0.70 IDO1 (0.46) ALDH1A1XDHSCN2AIDO1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN claimed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
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
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-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-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
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 (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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA ALDH1A1 2096/4885SMN1; SMN2 4106/4885XDH 577/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885SMN1; SMN2 4852/4885XDH 767/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885SMN1; SMN2 4859/4885XDH 711/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885SMN1; SMN2 4859/4885XDH 711/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ALDH1A1 425/4885SMN1; SMN2 975/4885XDH 124/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ALDH1A1 140/4885SMN1; SMN2 4614/4885XDH 2/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ALDH1A1 1025/4885SMN1; SMN2 4820/4885XDH 283/4885

“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.