SCHEMBL7606329

SCHEMBL7606329

C1=CSc2cccnc2[N]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8106506 0.67 TRPA1 (0.33) ALOX15
SCHEMBL9730822 0.67 ALOX15 (0.36) NOS3NOS1NOS2ALDH1A1ALOX15
SCHEMBL6642097 0.67 NOS3 (0.30) NOS3NOS1NOS2ALDH1A1ALOX15
SCHEMBL9586154 0.61 SMN1; SMN2 (0.33)
SCHEMBL1002519 0.60 TDP1 (0.31) NOS3NOS1NOS2ALDH1A1ALOX15
SCHEMBL9197036 0.58 GAA (0.32)
SCHEMBL2923846 0.58
SCHEMBL7609642 0.58
SCHEMBL6448434 0.57
SCHEMBL2917444 0.57 S100A4 (0.52) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US claimed
US-20020040047-A1 Novel Use ASTRAZENECA AB (SE) 2002-04-04 US disclosed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5484805-A LIPOXYGENASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-01-16 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP disclosed
US-5459271-A Arylbicyclooctanes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-10-17 US disclosed
US-5420298-A Antiinflammatory agents by inhibition of leukotrienes ZENECA LIMITED (GB) 1995-05-30 US disclosed
EP-0586229-A1 3-Hydroxy-3-(subst-akyl)-pyrrolidines as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-03-09 EP disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US disclosed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 EP disclosed
EP-0570112-A1 Cycloalkane derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 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 (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-20020040047-A1 Novel Use FPR3, NOX4, LTC4S NOS3 582/4885NOS1 1912/4885NOS2 1585/4885

“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.