SCHEMBL1225672

SCHEMBL1225672

Cc1ccc(-n2c(C)nc(Cl)c2-c2c(F)cc(OCCCN(C)C(=O)OCc3ccccc3)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
HDAC1 Q13547 1/20 0.33
HPGD P15428 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 1/20 0.32
CNR1 P21554 1/20 0.32
PPARG P37231 1/20 0.32

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
Hydrochloric Acid SCHEMBL1075631 0.78 MEN1 (0.35) HRH3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4478591 0.72 HDAC1 (0.33) HDAC1PPARGPPARDPPARA
SCHEMBL1076571 0.71 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL1110908 0.70 CACNA2D1 (0.38) HRH3KDM4EALDH1A1
SCHEMBL1225570 0.66 ALDH1A1 (0.49) MAPTMAPK1L3MBTL1HDAC1HPGD
SCHEMBL25973768 0.65 ALDH1A1 (0.47) NPC1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL1896919 0.64 ALDH1A1 (0.49) MAPTMAPK1L3MBTL1HDAC1HPGD
SCHEMBL9024602 0.64 ALDH1A1 (0.49) MAPTMAPK1L3MBTL1HDAC1HPGD
SCHEMBL7367495 0.63 ALDH1A1 (0.58) MAPTMAPK1L3MBTL1HDAC1HPGD
SCHEMBL1903762 0.63 HCRTR1 (0.38) MEN1KMT2A

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
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 HRH3 348/4885NPC1 605/4885RAB9A 1245/4885

“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.