SCHEMBL5113076

SCHEMBL5113076

O=Cc1ccc(Sc2ccc3ccccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
CYP2A6 P11509 1/20 0.43
RELA Q04206 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
G6PD P11413 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
PTGS1 P23219 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL195828 0.81 ALDH1A1 (0.59) ALDH1A1CYP2A6KDM4E
SCHEMBL6853611 0.81 ALDH1A1 (0.64) RAB9AALDH1A1LMNACYP2A6KDM4E
SCHEMBL761802 0.81 LMNA (0.57) ALDH1A1LMNASMN1; SMN2SIRT2SIRT1
SCHEMBL30832956 0.81 LMNA (0.57) ALDH1A1LMNASMN1; SMN2SIRT2SIRT1
SCHEMBL16709761 0.81 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2SIRT2SIRT1
SCHEMBL10031907 0.80 RELA (0.67) RAB9AALDH1A1LMNASMN1; SMN2RELA
SCHEMBL3281214 0.79 LMNA (0.52) ALDH1A1LMNASMN1; SMN2SIRT2SIRT1
2-Naphthaldehyde SCHEMBL51340 0.79 RELA (0.58) RAB9AALDH1A1SMN1; SMN2CYP2A6RELA
2-Naphthaldehyde SCHEMBL30229844 0.79 RELA (0.58) RAB9AALDH1A1SMN1; SMN2CYP2A6RELA
2-Naphthaldehyde SCHEMBL28110154 0.79 RELA (0.58) RAB9AALDH1A1SMN1; SMN2CYP2A6RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-7381842-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-03 US disclosed
US-6949678-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-09-27 US disclosed
US-20050191567-A1 Oxime ester photoinitiators KUNIMOTO KAZUHIKO (JP) 2005-09-01 US disclosed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 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 (3 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-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC RAB9A 3555/4885ALDH1A1 1740/4885LMNA 806/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT RAB9A 1287/4885ALDH1A1 2159/4885LMNA 1125/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT RAB9A 1287/4885ALDH1A1 2159/4885LMNA 1125/4885

“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.