SCHEMBL5446802

SCHEMBL5446802

Fc1cccc(Nc2nc(N3CCCCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
IDH2 P48735 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
GBA1 P04062 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL5444467 1.00 LMNA (0.53) LMNASMN1; SMN2HTTMAPTIDH2
SCHEMBL5451461 0.99 HTT (0.52) LMNASMN1; SMN2HTTMAPTIDH2
SCHEMBL5463276 0.90 CTSL (0.60) LMNASMN1; SMN2HTTMAPTCTSL
SCHEMBL5444523 0.87 HTT (0.42) LMNASMN1; SMN2HTTMAPTCTSL
SCHEMBL5442108 0.86 CTSL (0.44) LMNASMN1; SMN2HTTIDH2CTSL
SCHEMBL5444506 0.85 GBA1 (0.48) LMNAMAPTNPSR1CTSLCTSB
SCHEMBL5449419 0.84 CFTR (0.47) HTTCTSLCTSBCTSSCTSK
SCHEMBL5449029 0.83 POLB (0.43) HTTCTSLCTSBCTSSCTSK
SCHEMBL5448517 0.83 CTSL (0.42) LMNASMN1; SMN2HTTCTSLCTSB
SCHEMBL5443244 0.82 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 LMNA 745/4885SMN1; SMN2 2257/4885HTT 2644/4885

“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.