SCHEMBL636419

SCHEMBL636419

Cc1ncc2c(c1OC(=O)CCC(=O)Oc1c(C)ncc3c1COC3c1ccc(Cl)cc1)COC2c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TACR3 P29371 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ABCC1 P33527 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
SCHEMBL3490573 1.00 MAPT (0.33) MAPTKMT2ACYP1A2CYP2C9HIF1A
SCHEMBL636420 0.96 FFAR4 (0.34) MAPTKMT2AMAPK1TP53GAA
SCHEMBL3490574 0.96 FFAR4 (0.34) MAPTKMT2AMAPK1TP53GAA
SCHEMBL12673716 0.91 NR3C1 (0.33) MAPTKMT2AGAAL3MBTL1
SCHEMBL3488951 0.90 MAPT (0.35) MAPTKMT2AMAPK1GAANPC1
SCHEMBL638386 0.90 MAPT (0.35) MAPTKMT2AMAPK1GAANPC1
SCHEMBL3488954 0.89 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL15850674 0.89 MAPT (0.34) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL638387 0.89 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1
SCHEMBL9662398 0.89 MAPT (0.36) MAPTKMT2AMAPK1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 MAPT 4222/4885KMT2A 1778/4885CYP1A2 734/4885

“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.