SCHEMBL2102033

SCHEMBL2102033

S=[C]Nc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KEAP1 Q14145 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL1557301 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL87812 0.78 KDM4E (0.52) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL31682387 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL6768843 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL9613866 0.78 L3MBTL1 (0.35) ALDH1A1HSD17B10HPGDKDM4ERECQL
SCHEMBL49213 0.74 HSD17B10 (0.74) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL7915675 0.74 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL2099990 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL1921580 0.72 HSD17B10 (0.71) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL8500339 0.72 HSD17B10 (0.71) ALDH1A1HSD17B10CYP3A4TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
CN-102127078-A Heterocyclic janus kinase 3 inhibitors ASTELLAS PHARMA INC 2011-07-20 CN disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
CN-101223168-A Heterocyclic JANUS kinase 3 inhibitors ASTELLAS PHARMA INC (JP) 2008-07-16 CN disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
US-5162522-A Method for producing cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
US-5043372-A Light stabilizers for polyolefins; reacting hydrazine with bis(half ester-half amide) ATOCHEM NORTH AMERICA, INC. (US) 1991-08-27 US disclosed
EP-0434079-A1 N,N'-hydrocarbylenebis(N-hals-substituted amic acid hydrazides) and their derivatives ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 EP disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
US-4929639-A TREATMENT OF ASTHMA, DISEASES CAUSED BY THROMBOXANE A2 FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-29 US disclosed
EP-0354538-A2 Method for producing cephem compounds Takeda Chemical Industries, Ltd. (JP) 1990-02-14 EP disclosed
EP-0346511-A1 Oxygen-containing hererocyclic compound, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP 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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP ALDH1A1 4758/4885HSD17B10 3473/4885CYP3A4 4433/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 3392/4885HSD17B10 3943/4885CYP3A4 1889/4885

“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.