SCHEMBL1313660

SCHEMBL1313660

Clc1nncc2onc(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.42
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MITF O75030 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1316871 0.75 PTGS1 (0.41) NR4A2NPC1RAB9ACASP3SENP8
SCHEMBL28256931 0.73 NR4A2 (0.46) NR4A2NPC1RAB9ACASP3SENP8
SCHEMBL1315287 0.67 GOT1 (0.44) NR4A2NPC1RAB9ACASP3SENP8
SCHEMBL18605479 0.67 NR4A2 (0.58) NR4A2NPC1RAB9ACASP3SENP8
SCHEMBL581995 0.65 SMN1; SMN2 (0.40) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL7042790 0.65 KCNA5 (0.46) NR4A2NPC1RAB9ACASP3SENP8
SCHEMBL541948 0.64 ESR1 (0.55) NR4A2PTGS1PTGS2
SCHEMBL28107099 0.63 SMN1; SMN2 (0.53) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL8478232 0.62 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL528504 0.62 GABRA1 (0.39) NPC1RAB9APTGS1PTGS2KDM4E

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-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 NR4A2 1954/4885NPC1 126/4885RAB9A 2811/4885

“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.