SCHEMBL2030709

SCHEMBL2030709

O=C(O)c1occc1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACLY P53396 1/20 0.41
MAP4K4 O95819 2/20 0.40
KMO O15229 2/20 0.40
AURKA O14965 2/20 0.39
TPX2 Q9ULW0 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SRD5A2 P31213 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALAD P13716 1/20 0.39
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL6632966 0.84 IKBKB (0.41) MAP4K4NPC1ALDH1A1KDM4E
SCHEMBL3983853 0.83 HSD17B10 (0.47) AGTR1AGTR2RAB9AALDH1A1MAPT
SCHEMBL27605316 0.83 KMT2A (0.44) AGTR1AGTR2RAB9AALDH1A1MAPT
SCHEMBL8138770 0.83 BCL2L1 (0.48) AGTR1AGTR2MAP4K4NPC1RAB9A
SCHEMBL1549765 0.82 KMT2A (0.46) AGTR1AGTR2TSHR
SCHEMBL137803 0.81 AGTR1 (0.42) AGTR1AGTR2NPC1RAB9AALDH1A1
SCHEMBL2318665 0.81 SMN1; SMN2 (0.42) AGTR1AGTR2MAP4K4NPC1RAB9A
SCHEMBL27605308 0.81 PTPN1 (0.41) AGTR1AGTR2TSHRALDH1A1KDM4E
SCHEMBL244322 0.81 GPR35 (0.43) AGTR1AGTR2KDM4EMAPTNOTUM
SCHEMBL5634176 0.78 MAPK14 (0.49) AGTR1AGTR2TSHRMAPTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265511-A Synthetic method of A-803467 key intermediate UNIV ZHENGZHOU 2013-08-28 CN claimed
CN-102746282-B N-5-substituted phenyl-2-furoyl compounds, preparation method and application thereof UNIV CHINA AGRICULTURAL 2014-08-20 CN disclosed
EP-2512238-A1 FUSED TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
CN-102746282-A N-5-substituted phenyl-2-furoyl compounds, preparation method and application thereof UNIV CHINA AGRICULTURAL 2012-10-24 CN disclosed
WO-2011075375-A1 FUSED TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2011-06-23 WO disclosed
CN-100543022-C 2-furancarboxylic acid hydrazide compound and contain the pharmaceutical composition of this compound DAINIPPON PHARMACEUTICAL CO (JP) 2009-09-23 CN disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (1 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC AGTR1 2886/4885AGTR2 2263/4885ALOX15 777/4885

“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.