SCHEMBL3976756

SCHEMBL3976756

O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL3982131 0.88 KMT2A (0.40) ALDH1A1NPC1RAB9ACTDSP1CYP1A2
SCHEMBL3983006 0.86 ALDH1A1 (0.58) ACLYKDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL3977724 0.83 NPC1 (0.50) ALDH1A1L3MBTL1NPC1RAB9ACTDSP1
SCHEMBL3974199 0.82 ALDH1A1 (0.59) KDM4EALDH1A1NPC1RAB9ACYP3A4
SCHEMBL3982429 0.81 TOP1 (0.44) NPC1RAB9ACTDSP1
SCHEMBL3981613 0.81 CCNC (0.42) ALDH1A1NPC1RAB9ACTDSP1CYP3A4
SCHEMBL3981149 0.79 HPGD (0.47) NPC1RAB9ACTDSP1HPGD
SCHEMBL3983962 0.78 MEN1 (0.40) NPC1RAB9ACTDSP1
SCHEMBL3973507 0.78 MEN1 (0.40) ALDH1A1NPC1RAB9ACTDSP1CYP3A4
SCHEMBL3983192 0.78 ESR1 (0.41) KDM4ENPC1RAB9ACTDSP1

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
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 ACLY 313/4885AKR1C2 180/4885AKR1C1 206/4885

“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.