SCHEMBL15535176

SCHEMBL15535176

COC(=O)c1cc(Cl)nc(C2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL20186726 0.94 ALDH1A1 (0.45) TDP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15534623 0.90 TDP1 (0.40) TDP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15535692 0.87 ALDH1A1 (0.44) TDP1ALDH1A1KDM4EHSD17B10KDM5A
SCHEMBL16706128 0.84 KDM5A (0.53) TDP1ALDH1A1KDM4EHSD17B10KDM5A
SCHEMBL2670935 0.82 ALDH1A1 (0.63) TDP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15535695 0.81 KMO (0.44) TDP1TAS1R3TAS1R1TAS1R2POLB
SCHEMBL23683916 0.80 KMO (0.46) TDP1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL3853799 0.79 ALDH1A1 (0.46) TDP1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL569249 0.79 ALDH1A1 (0.59) TDP1ALDH1A1KDM4ECA12CA1
SCHEMBL14479830 0.77 KDM4E (0.53) TDP1ALDH1A1KDM4ECA12CA1

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
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US claimed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP claimed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 WO claimed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
EP-2852575-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID Actelion Pharmaceuticals Ltd. (CH) 2015-04-01 EP disclosed
WO-2013175397-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD (CH) 2013-11-28 WO 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-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID IMPDH1, IMPDH2, ITPA TDP1 3764/4885TAS1R3 4460/4885TAS1R1 4233/4885

“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.