SCHEMBL456093

SCHEMBL456093

Fc1[c]cc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
AHR P35869 2/20 0.38
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALOX5 P09917 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.33
NOTUM Q6P988 1/20 0.33
KIF11 P52732 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15063789 0.81 BCL2L1 (0.38) NPC1RAB9ASMN1; SMN2MAOBNOTUM
SCHEMBL75548 0.80
SCHEMBL454694 0.79 ALDH1A1 (0.43) CYP1A2LMNACYP2A6ALOX5TSHR
SCHEMBL456827 0.78 ALOX5 (0.47) ALOX5MAOB
SCHEMBL15063752 0.77 ACHE (0.40) HSD17B10KIF11
SCHEMBL457983 0.77 ALDH1A1 (0.42) CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL15063579 0.77
SCHEMBL15063601 0.76 CYP1A2 (0.46) CYP1A2AHRLMNACYP2A6ALOX5
SCHEMBL15063841 0.74 KIF11 (0.50) MAOBNOTUMKIF11
SCHEMBL509338 0.73 CYP1A2 (0.42) CYP1A2AHRLMNACYP2A6ALOX5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102408380-B 5-aminopyrimidine-thione compounds and preparation method thereof UNIV ZHEJIANG 2014-04-16 CN claimed
CN-102408380-A 5-aminopyrimidine thioketone compound and preparation method thereof UNIV ZHEJIANG 2012-04-11 CN claimed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
CN-102408380-B 5-aminopyrimidine-thione compounds and preparation method thereof UNIV ZHEJIANG 2014-04-16 CN disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
CN-102408380-A 5-aminopyrimidine thioketone compound and preparation method thereof UNIV ZHEJIANG 2012-04-11 CN disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A2 36/4885AHR 558/4885LMNA 1124/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A2 36/4885AHR 558/4885LMNA 1124/4885

“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.