SCHEMBL558212

SCHEMBL558212

[c]1n[nH]cc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
NISCH Q9Y2I1 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL661463 0.67 CYP3A4 (0.46) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL891261 0.65 KDM4E (0.39) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL3195052 0.65 CYP3A4 (0.40) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL4670402 0.65
SCHEMBL3545 0.65 L3MBTL1 (0.57) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL16291133 0.65 L3MBTL1 (0.57) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL974384 0.64 KDM4E (0.38) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL1906119 0.63 POLB (0.41) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL12487832 0.63 GRIN2D (0.42) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL1906118 0.63 ALDH1A1 (0.38) KDM4EHPGDALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP claimed
EP-2908825-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-04-18 EP claimed
EP-2672819-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-11-29 EP claimed
EP-3194414-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-07-26 EP claimed
US-9422277-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-23 US claimed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 US claimed
US-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-05-19 US claimed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP claimed
WO-2016041877-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2016-03-24 WO claimed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 US claimed
EP-1709047-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-10-11 EP claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
WO-2005067900-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-07-28 WO claimed
US-20050049376-A1 High refractive index, uv-curable monomers and coating compositions prepared therefrom GENERAL ELECTRIC COMPANY 2005-03-03 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-5593945-A HERBICIDES AND CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT KDM4E 1098/4885HPGD 3824/4885ALDH1A1 310/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 KDM4E 1559/4885HPGD 3743/4885ALDH1A1 221/4885
US-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR KDM4E 3406/4885HPGD 2115/4885ALDH1A1 588/4885
US-20050049376-A1 High refractive index, uv-curable monomers and coating compositions prepared therefrom MACF1, WASF2, THEM6 KDM4E 3417/4885HPGD 1794/4885ALDH1A1 1014/4885
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 KDM4E 626/4885HPGD 4001/4885ALDH1A1 171/4885
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP KDM4E 2120/4885HPGD 1298/4885ALDH1A1 734/4885

“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.