SCHEMBL6000767

SCHEMBL6000767

CC(C)Cc1ccc(CCNc2ccc(-c3csc(CN4Cc5ccccc5CC4C(=O)O)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MMP8 P22894 3/20 0.37
MMP3 P08254 2/20 0.37
MMP13 P45452 1/20 0.37
ADRB3 P13945 7/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ACE P12821 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL6000031 0.89 NAMPT (0.44) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL6000762 0.84 NAMPT (0.39) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL6000309 0.76 RAB9A (0.49) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL6000713 0.75 MEN1 (0.48) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL6000305 0.74 MEN1 (0.48) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL6001128 0.74 NAMPT (0.37) NAMPTMEN1KMT2ARAB9AMMP8
SCHEMBL5999041 0.74 S1PR1 (0.37) NAMPTMEN1KMT2ARAB9AMMP8
SCHEMBL5999037 0.74 S1PR1 (0.37) NAMPTMEN1KMT2ARAB9AMMP8
SCHEMBL6001122 0.74 NAMPT (0.37) NAMPTMEN1KMT2ARAB9AMMP8
SCHEMBL6000025 0.73 NAMPT (0.39) NAMPTMEN1KMT2ANPC1RAB9A

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 NAMPT 2581/4885MEN1 4550/4885KMT2A 3203/4885

“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.