SCHEMBL6524973

SCHEMBL6524973

CC#Cc1ccc2[nH]c(C(=O)OCC)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
NPC1 O15118 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
MMP13 P45452 8/20 0.61
MMP2 P08253 6/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.58
MMP14 P50281 4/20 0.57

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
SCHEMBL24974624 0.88 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15904878 0.88 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15905377 0.87 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21151271 0.86 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6517276 0.85 RAB9A (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1420412 0.85 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21151350 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8645820 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5842181 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5842173 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDRAB9ASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP claimed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US claimed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US claimed
EP-2948454-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research An Indian registered body incorporated under the Registration of Societies Act (Act XXI of 1860) (IN) 2015-12-02 EP claimed
WO-2014115171-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-31 WO claimed
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
EP-2948454-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research An Indian registered body incorporated under the Registration of Societies Act (Act XXI of 1860) (IN) 2015-12-02 EP disclosed
WO-2014115171-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-31 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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 (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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK KDM4E 1508/4885ALDH1A1 4597/4885HPGD 4309/4885
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF TPH2, IDO2, INMT KDM4E 862/4885ALDH1A1 2885/4885HPGD 2149/4885

“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.