SCHEMBL5455045

SCHEMBL5455045

Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
PTGS2 P35354 1/20 0.52
CHEK1 O14757 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL5455053 0.93 LMNA (0.58) MAPTLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5445234 0.90 LMNA (0.69) MAPTLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5441179 0.90 LMNA (0.69) MAPTLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5455549 0.89 TRPV1 (0.56) MAPTLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5463276 0.89 CTSL (0.60) MAPTCTSLCTSSCTSKLMNA
SCHEMBL5448835 0.89 TDP1 (0.58) MAPTLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL5455349 0.86 MAPT (0.63) MAPTCTSLCTSSCTSKLMNA
SCHEMBL5451317 0.84 PIK3CA (0.66) MAPTLMNAHTTSMN1; SMN2TDP1
SCHEMBL5451132 0.82 TRPV1 (0.58) MAPT
SCHEMBL5448980 0.82 TRPV1 (0.60) MAPTLMNAHTTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed
EP-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP claimed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO claimed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 MAPT 4826/4885CTSL 2271/4885CTSS 1645/4885

“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.