SCHEMBL3900919

SCHEMBL3900919

COc1ccc(-c2nnc(C(N)=O)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 2/20 0.59
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
KMT2A Q03164 2/20 0.58
CSNK2A2 P19784 1/20 0.54
CSNK2A1 P68400 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MEN1 O00255 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
DDX3X O00571 2/20 0.52
TDP1 Q9NUW8 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
SCHEMBL8840134 0.86 RAB9A (0.60) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL30968063 0.84 MAPT (0.58) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL28948282 0.82 ALDH1A1 (0.56) KDM4EALDH1A1RAB9ANPC1KMT2A
SCHEMBL6663651 0.79 KDM4E (0.75) KDM4EMAPTALDH1A1TP53HSD17B10
SCHEMBL27897711 0.79 HRH3 (0.43) KDM4ERAB9ACSNK2A2CSNK2A1CA1
SCHEMBL5999688 0.79 KDM4E (0.56) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL15048539 0.79 CSNK2A1 (0.51) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL191761 0.78 NPC1 (0.49) KDM4EALDH1A1TP53RAB9ANPC1
SCHEMBL3088218 0.77 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL3691522 0.77 NPC1 (0.48) KDM4EALDH1A1TP53RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
CN-103044413-B Thiadiazolyl thiourea derivative, as well as preparation and application thereof as plant growth regulator UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN disclosed
CN-103012316-B N-4-methyl-1,2,3-thiadiazole-4-acyl-N-substituted 1,3,4-thiadiazole thiourea derivative and preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-03-25 CN disclosed
CN-103030606-B Thiadiazole-containing amide derivatives, and preparation and application thereof UNIV ZHEJIANG TECHNOLOGY 2014-12-03 CN disclosed
CN-103030607-B Thiadiazole-containing amide derivative, and preparation and application thereof as plant growth regulator UNIV ZHEJIANG TECHNOLOGY 2014-12-03 CN disclosed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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 (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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KDM4E 3582/4885MAPT 9/4885ALDH1A1 2945/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 KDM4E 3582/4885MAPT 9/4885ALDH1A1 2945/4885

“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.