SCHEMBL6000774

SCHEMBL6000774

CCCCOc1ccc(COc2ccc(-c3csc(CN4CCC(c5cccc(C(=O)O)c5)CC4)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
S1PR5 Q9H228 3/20 0.43
GLP1R P43220 7/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RY14 Q15391 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39

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
SCHEMBL6000477 0.91 PTPN2 (0.53) MRGPRX4GLP1RALDH1A1KMT2APTPN2
SCHEMBL5999913 0.88 MRGPRX4 (0.45) MRGPRX4S1PR5GLP1RALDH1A1KMT2A
SCHEMBL6001162 0.86 MRGPRX4 (0.44) MRGPRX4S1PR5GLP1R
SCHEMBL6000231 0.85 MRGPRX4 (0.41) MRGPRX4GLP1RALDH1A1KMT2A
SCHEMBL5999145 0.81 PTPN2 (0.56) MRGPRX4GLP1RALDH1A1KMT2APTPN2
SCHEMBL5999093 0.77 PTPN2 (0.53) MRGPRX4ALDH1A1KMT2APTPN2PTPN1
SCHEMBL6000399 0.76 PTPN2 (0.55) ALDH1A1KMT2APTPN2PTPN1LMNA
Hydrochloric Acid SCHEMBL6000773 0.73 PTPN2 (0.59) S1PR5ALDH1A1KMT2APTPN2PTPN1
Hydrochloric Acid SCHEMBL6000737 0.73 PTPN2 (0.59) S1PR5ALDH1A1KMT2APTPN2PTPN1
SCHEMBL6000163 0.72 PTPN2 (0.55) ALDH1A1KMT2APTPN2PTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 MRGPRX4 1577/4885S1PR5 1297/4885GLP1R 182/4885

“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.