SCHEMBL2075844

SCHEMBL2075844

c1ccc(NOB(ONc2ccccc2)ONc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CTSD P07339 1/20 0.43
TSHR P16473 3/20 0.41
PTGS2 P35354 2/20 0.41
ALOX12 P18054 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 3/20 0.39
IDO1 P14902 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL812351 0.85 TSHR (0.39) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL2075846 0.79 TSHR (0.42) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL1557359 0.74 ORAI1 (0.42) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL1287190 0.73 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL863709 0.73 ALDH1A1 (0.50) ALDH1A1TDP1HSD17B10CTSDTSHR
Bromide SCHEMBL30083679 0.71 ALDH1A1 (0.47) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL574779 0.69
SCHEMBL28538637 0.69
SCHEMBL28253198 0.69
SCHEMBL28158708 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731953-A Propylene resin composition and film thereof SUMITOMO CO LTD 2012-10-17 CN disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 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 (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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 ALDH1A1 1059/4885TDP1 186/4885HSD17B10 3275/4885

“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.