SCHEMBL620122

SCHEMBL620122

O=C(O)NCc1ccc(NC(=O)c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LTC4S Q16873 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL620069 0.85 RAB9A (0.53) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL10232972 0.85 HDAC1 (0.60) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL28652032 0.81 KCNMA1 (0.60) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL3528827 0.81 MAPT (0.62) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL7740936 0.79 HDAC1 (0.64) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL13885737 0.79 RAB9A (0.58) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL617401 0.78 HTT (0.46) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL7748111 0.78 RAB9A (0.83) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL29396019 0.77 RAB9A (0.56) CYP1A2CYP2C19CYP2D6RAB9AHDAC1
SCHEMBL6170575 0.77 POLB (0.67) RAB9AHDAC1HDAC8HDAC6MAPT

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-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 CYP1A2 367/4885CYP2C19 453/4885CYP2D6 356/4885

“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.