SCHEMBL2808694

SCHEMBL2808694

CC(NC(=O)O)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HIF1A Q16665 3/20 0.50
MAPKAPK2 P49137 1/20 0.49
ADRB1 P08588 2/20 0.47
ADRA1A P35348 2/20 0.47
MIF P14174 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
ADRB2 P07550 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL6176448 1.00 LMNA (0.50) LMNAKDM4EHIF1AMAPKAPK2ADRB1
SCHEMBL6176429 1.00 LMNA (0.50) LMNAKDM4EHIF1AMAPKAPK2ADRB1
SCHEMBL13452335 0.86 ALDH1A1 (0.49) LMNAKDM4EHIF1AMAPKAPK2ADRB1
SCHEMBL27181475 0.81 HIF1A (0.57) LMNAKDM4EHIF1AMAPKAPK2ADRB1
SCHEMBL23000166 0.81 MTOR (0.60) MEN1KMT2AGAAMTORGPR139
SCHEMBL17923292 0.81 ALDH1A1 (0.63) LMNAALDH1A1KMT2A
SCHEMBL2766240 0.81 ALDH1A1 (0.63) LMNAALDH1A1KMT2A
SCHEMBL22836727 0.81 CPN1 (0.49) LMNAKDM4EMAPKAPK2ALDH1A1HSD17B10
SCHEMBL14065100 0.81 CPN1 (0.49) LMNAKDM4EMAPKAPK2ALDH1A1HSD17B10
SCHEMBL9899529 0.81 ALDH1A1 (0.63) LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
EP-0247476-B1 HYDROXYPHENYL URETHANES, PROCESS FOR THEIR MANUFACTURE, THEIR USES AND CHLOROFORMATES COMPRISING HYDROXYPHENYL URETHANE GROUPS BAYER AG (DE) 1990-12-27 EP disclosed
EP-0247483-A2 Process for the preparation of hydroxyphenyl urethanes BAYER AG (DE) 1987-12-02 EP disclosed
EP-0247476-A1 Hydroxyphenyl urethanes, process for their manufacture, their uses and chloroformates comprising hydroxyphenyl urethane groups BAYER AG (DE) 1987-12-02 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 LMNA 4752/4885KDM4E 1238/4885HIF1A 340/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 LMNA 4814/4885KDM4E 972/4885HIF1A 291/4885

“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.