SCHEMBL6666438

SCHEMBL6666438

c1csc(-c2cccc3cccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 2/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
CCR1 P32246 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
HTT P42858 1/20 0.52
MMP13 P45452 1/20 0.52

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
SCHEMBL28132260 0.98 KDM4E (0.50) KDM4EMAPTTDP1ALOX15MMP2
SCHEMBL28335119 0.98 KDM4E (0.50) KDM4EMAPTTDP1ALOX15MMP2
Hydrochloric Acid SCHEMBL6667707 0.98 KDM4E (0.50) KDM4EMAPTTDP1ALOX15MMP2
SCHEMBL27873922 0.79 KDM4E (0.56) KDM4EMAPTTDP1ALOX15MMP2
SCHEMBL28083058 0.79 TOP2A (0.49) KDM4EMAPTTDP1CYP3A4SMN1; SMN2
SCHEMBL2237236 0.79 GLO1 (0.47) KDM4EMAPTTDP1CYP3A4SMN1; SMN2
SCHEMBL27863584 0.79 CDK5 (0.45) KDM4EMAPTTDP1CYP3A4SMN1; SMN2
SCHEMBL15660874 0.78 ADRB1 (0.43) KDM4EMAPTTDP1TSHRCYP3A4
SCHEMBL1282008 0.78 CCR1 (0.75) KDM4EMAPTTDP1ALOX15MMP2
SCHEMBL30184687 0.78 CCR1 (0.75) KDM4EMAPTTDP1ALOX15MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563772-B Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2022-03-15 CN claimed
CN-110563772-A Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2019-12-13 CN claimed
WO-2004022337-A1 STABILIZED INFRARED-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS GMBH (DE) 2004-03-18 WO claimed
JP-4296751-A None JP disclosed
JP-55108429-A None JP disclosed
CN-110563772-B Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2022-03-15 CN disclosed
CN-110563772-B Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2022-03-15 CN disclosed
CN-110563772-A Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2019-12-13 CN disclosed
CN-110563772-A Nickel mononuclear hydrogenase model substance and intermediate product, preparation method and application thereof 鲁东大学 2019-12-13 CN disclosed
CN-103975456-B Comprise the light-emitting device of nanostructured 日东电工株式会社 2016-10-19 CN disclosed
CN-104023529-B Use nitrogen polymer Stable Iodine compound 朗盛德国有限责任公司 2016-10-12 CN disclosed
WO-2004022337-A1 STABILIZED INFRARED-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS GMBH (DE) 2004-03-18 WO disclosed
WO-2004022337-A1 STABILIZED INFRARED-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS GMBH (DE) 2004-03-18 WO disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed
JP-H04296751-A HEAT DEVELOPABLE COLOR PHOTOSENSITIVE MATERIAL AND IMAGE FORMING METHOD KONICA CORP 1992-10-21 JP disclosed
JP-S55108429-A RUBBER COMPOSITION JAPAN SYNTHETIC RUBBER CO LTD 1980-08-20 JP 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 KDM4E 1809/4885MAPT 3585/4885TDP1 2654/4885

“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.