SCHEMBL5999737

SCHEMBL5999737

CN(Cc1ccc(C(=O)O)cc1)Cc1nc(-c2ccc(NCCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LTA4H P09960 2/20 0.39
MRE11 P49959 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GCGR P47871 1/20 0.36
TRPA1 O75762 1/20 0.36
CSNK2A1 P68400 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
S1PR1 P21453 1/20 0.35
STAT3 P40763 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5999893 0.91 RAB9A (0.39) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6001062 0.91 RAB9A (0.39) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6001067 0.90 RAB9A (0.42) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999224 0.89 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999078 0.89 AVPR1B (0.42) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6000148 0.89 NPC1 (0.41) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999786 0.87 NPC1 (0.37) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999733 0.86 RXRA (0.42) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999739 0.85 MRE11 (0.40) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL5999747 0.84 OPRM1 (0.41) RAB9ANPC1POLBMEN1KMT2A

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 RAB9A 1393/4885NPC1 955/4885POLB 3893/4885

“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.