SCHEMBL5036239

SCHEMBL5036239

CCCCc1nc(Cl)c(C(=O)OCCCBr)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
ATM Q13315 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 2/20 0.35
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL5041126 0.82 NPC1 (0.39) L3MBTL1MAPTATMLMNAGAA
SCHEMBL3038066 0.76 PARP1 (0.41) ALDH1A1GPR84
SCHEMBL9403469 0.73 ALDH1A1 (0.31) MAPTLMNAALDH1A1
SCHEMBL3425127 0.72 GPR84 (0.34) ALDH1A1GPR84
SCHEMBL9308698 0.71 ALDH1A1 (0.45) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL21298712 0.70 ALDH1A1 (0.40) L3MBTL1MAPTATMLMNAGAA
SCHEMBL7268595 0.69 ALDH1A1 (0.41) L3MBTL1MAPTLMNAGAANPC1
SCHEMBL9206394 0.69 ALDH1A1 (0.61) MAPTLMNAGAANPC1RAB9A
SCHEMBL9308574 0.69 ALDH1A1 (0.43) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8823569 0.68 ALDH1A1 (0.40) MAPTLMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100496490-C Nitrooxy derivatives of losartan, valsartan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin II receptor blockers for the treatment of cardiovascular diseases NICOX SA (FR) 2009-06-10 CN disclosed
EP-1653950-B1 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2008-01-09 EP disclosed
US-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases NICOX S.A. (FR) 2006-12-07 US disclosed
CN-1832742-A Nitrooxy derivatives of losartan, valsartan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin II receptor blockers for the treatment of cardiovascular diseases NICOX SA (FR) 2006-09-13 CN disclosed
EP-1653950-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-05-10 EP disclosed
WO-2005011646-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2005-02-10 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-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases AGTR2, AGTR1, REN L3MBTL1 3622/4885MAPT 2954/4885ATM 4004/4885

“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.