SCHEMBL417377

SCHEMBL417377

CNCc1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.52
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.49
DRD4 P21917 1/20 0.48
GRM2 Q14416 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
OGA O60502 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
SCHEMBL13959064 0.89 MAPT (0.50) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL13234632 0.88 SMN1; SMN2 (0.59) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL13216762 0.78 MAPT (0.52) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL14036529 0.74 SMN1; SMN2 (0.51) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL417845 0.74 LMNA (0.53) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8082196 0.73 SMN1; SMN2 (0.62) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL13082657 0.73 KDM4E (0.56) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL12668912 0.72 SMN1; SMN2 (0.62) SMOMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL414567 0.72 NCF1 (0.58) DRD4
SCHEMBL28671946 0.71 MAPT (0.57) MAPTSMN1; SMN2LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 SMO 3304/4885MAPT 3216/4885SMN1; SMN2 4050/4885

“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.