SCHEMBL3269547

SCHEMBL3269547

CCCCNCc1ccc(OC)c(OC)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
POLB P06746 1/20 0.74
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
S1PR2 O95136 1/20 0.60
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60
LPAR2 Q9HBW0 1/20 0.60
HTR1A P08908 1/20 0.59
HTR1D P28221 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR7 P34969 1/20 0.59
HTR2B P41595 1/20 0.59
HTR5A P47898 1/20 0.59
HTR6 P50406 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL1966851 0.90 KDM4E (0.69) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL31606732 0.88 KDM4E (0.75) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL5972208 0.88 KDM4E (0.75) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL3265199 0.86 KDM4E (0.56) KDM4EPOLBS1PR2S1PR1S1PR3
SCHEMBL906529 0.86 KDM4E (0.60) KDM4EPOLBALDH1A1
SCHEMBL9672348 0.85 KDM4E (1.00) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL28670719 0.85 SLC2A1 (0.64) KDM4EPOLBHTR1AHTR1DHTR2A
SCHEMBL11020360 0.85 KDM4E (0.72) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL10437146 0.85 KDM4E (0.71) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL1599701 0.84 KDM4E (0.69) KDM4EPOLBHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US disclosed
WO-2010084160-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2010-07-29 WO disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R KDM4E 813/4885POLB 2937/4885HDAC3 73/4885
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA KDM4E 1015/4885POLB 1663/4885HDAC3 1081/4885

“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.