SCHEMBL5451461

SCHEMBL5451461

Fc1cccc(Nc2nc(N3CCCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
IDH2 P48735 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
GBA1 P04062 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK1 O14757 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL5446802 0.99 LMNA (0.53) HTTMAPTLMNASMN1; SMN2IDH2
SCHEMBL5444467 0.99 LMNA (0.53) HTTMAPTLMNASMN1; SMN2IDH2
SCHEMBL5463276 0.91 CTSL (0.60) HTTMAPTLMNASMN1; SMN2CTSL
SCHEMBL5444523 0.88 HTT (0.42) HTTMAPTLMNASMN1; SMN2CTSL
SCHEMBL5442108 0.87 CTSL (0.44) HTTLMNASMN1; SMN2IDH2CTSL
SCHEMBL5444506 0.86 GBA1 (0.48) MAPTLMNANPSR1CTSLCTSB
SCHEMBL5449419 0.85 CFTR (0.47) HTTCTSLCTSBCTSSCTSK
SCHEMBL5449029 0.84 POLB (0.43) HTTCTSLCTSBCTSSCTSK
SCHEMBL5448517 0.84 CTSL (0.42) HTTLMNASMN1; SMN2CTSLCTSB
SCHEMBL5443244 0.83 POLB (0.42) HTTCTSLCTSBCTSSCTSK

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 HTT 2644/4885MAPT 4826/4885LMNA 745/4885

“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.