SCHEMBL4963017

SCHEMBL4963017

O=C(NCC1COc2ccccc2O1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.76
GAA P10253 1/20 0.76
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TSHR P16473 3/20 0.66
MTNR1A P48039 1/20 0.57
HPGD P15428 4/20 0.55
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
AIMP2 Q13155 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
GLA P06280 1/20 0.49

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
SCHEMBL1062342 0.78 RAB9A (0.70) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3136257 0.75 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TSHRMTNR1A
SCHEMBL22393113 0.75 HPGD (0.76) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL1567604 0.75 MTNR1A (0.76) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL14096423 0.74 ALDH1A1 (0.83) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4965700 0.74 KDM4E (0.64) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL7202212 0.73 MTNR1A (1.00) KDM4EGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11028253 0.72 MTNR1A (0.97) NPC1RAB9ASMN1; SMN2TSHRMTNR1A
SCHEMBL21348630 0.71 MTNR1A (0.70) NPC1RAB9ASMN1; SMN2TSHRMTNR1A
SCHEMBL21416050 0.71 MTNR1A (0.70) NPC1RAB9ASMN1; SMN2TSHRMTNR1A

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
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KDM4E 3590/4885GAA 558/4885NPC1 383/4885

“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.