SCHEMBL6044670

SCHEMBL6044670

Ic1nccn1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
YTHDC1 Q96MU7 1/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APEX1 P27695 1/20 0.38
PI4KA P42356 1/20 0.38
BLM P54132 1/20 0.38
ADCY1 Q08828 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35

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
SCHEMBL15614521 0.80 CYP2C19 (0.42) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL13527817 0.77 CYP2C19 (0.38) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL13469345 0.76 CYP2C19 (0.42) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL19949182 0.76 CYP2C19 (0.39) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL13527818 0.76 CYP2C19 (0.39) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL15543652 0.74 LMNA (0.37) KMT2AALDH1A1MEN1TP53PI4KA
SCHEMBL10805867 0.74 CYP2C19 (0.38) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL1485370 0.71 CYP2C19 (0.38) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL1564274 0.71 KMT2A (0.40) CYP2C19YTHDC1KMT2AALDH1A1MEN1
SCHEMBL7904174 0.71 ALDH1A1 (0.40) CYP2C19YTHDC1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US disclosed
EP-1430032-A2 SUBSTITUTED AMIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Elan Pharmaceuticals, Inc. (US) 2004-06-23 EP disclosed
WO-2003027068-A2 SUBSTITUTED AMINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2003-04-03 WO 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 (2 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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease BACE1, APP, BACE2 CYP2C19 801/4885YTHDC1 4543/4885KMT2A 1649/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 CYP2C19 4658/4885YTHDC1 4285/4885KMT2A 1032/4885

“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.