SCHEMBL6802380

SCHEMBL6802380

CC(=O)Nc1cccc(OC(C(=O)Nc2cccc(C#N)c2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
MAPK14 Q16539 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
HDAC1 Q13547 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL6806834 0.81 POLB (0.54) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL171190 0.80 ALDH1A1 (0.66) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL30368222 0.80 ALDH1A1 (0.66) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL6808022 0.80 LMNA (0.49) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL26274509 0.79 ALDH1A1 (0.61) HTTLMNAALDH1A1MCHR1SMN1; SMN2
SCHEMBL5164144 0.79 MGLL (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6807930 0.79 F10 (0.60) SMN1; SMN2POLBF9F10PLAU
SCHEMBL14408292 0.77 MGLL (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2AF9
SCHEMBL3555718 0.77 HDAC1 (0.51) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL6809507 0.75 SMN1; SMN2 (0.73) HTTLMNAMCHR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US claimed
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours RCOR3, F2, NCOR2 HTT 3764/4885LMNA 436/4885ALDH1A1 3576/4885

“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.