SCHEMBL5455053

SCHEMBL5455053

Clc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
GBA1 P04062 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTGS2 P35354 4/20 0.54
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL5445234 0.93 LMNA (0.69) LMNAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5455045 0.93 MAPT (0.65) LMNAHTTGBA1KDM4ESMN1; SMN2
SCHEMBL5441179 0.93 LMNA (0.69) LMNAHTTGBA1KDM4EALDH1A1
SCHEMBL5448835 0.90 TDP1 (0.58) LMNAHTTGBA1SMN1; SMN2CYP1A2
SCHEMBL5455549 0.90 TRPV1 (0.56) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5451317 0.89 PIK3CA (0.66) LMNAHTTGBA1ALDH1A1SMN1; SMN2
SCHEMBL5448980 0.86 TRPV1 (0.60) LMNAHTTGBA1KDM4EALDH1A1
SCHEMBL5463276 0.86 CTSL (0.60) LMNAHTTKDM4ESMN1; SMN2TDP1
SCHEMBL5451132 0.82 TRPV1 (0.58) MAPT
SCHEMBL5463308 0.81 TDP1 (0.52) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9

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 LMNA 745/4885HTT 2644/4885GBA1 1038/4885

“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.