SCHEMBL4143052

SCHEMBL4143052

CCCOc1ccc2c(c1)CN(C)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4143053 1.00 KMT2A (0.34) KMT2APTPN11CA12CA1CA2
SCHEMBL4152561 0.94 MTNR1A (0.37) KDM4EALDH1A1PRKCAMMP12
SCHEMBL4152565 0.94 MTNR1A (0.37) KDM4EALDH1A1PRKCAMMP12
SCHEMBL4139463 0.92 PRKCA (0.39) PRKCAMMP12
SCHEMBL4139457 0.92 PRKCA (0.39) PRKCAMMP12
SCHEMBL4152580 0.91 ALDH1A1 (0.37) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL4152577 0.91 ALDH1A1 (0.37) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL4148306 0.90 HRH3 (0.34) KMT2APTPN11ALDH1A1PRKCAMMP12
SCHEMBL4148304 0.90 HRH3 (0.34) KMT2APTPN11ALDH1A1PRKCAMMP12
SCHEMBL4144274 0.90 KCNH2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KMT2A 3385/4885PTPN11 2001/4885CA12 3334/4885

“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.