SCHEMBL1314486

SCHEMBL1314486

O=c1[nH]ccc2c(Cl)c(Cl)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.59
PARP1 P09874 8/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
PARP15 Q460N3 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR8 P51685 1/20 0.41
KMT2A Q03164 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL4009921 0.79 PARP1 (0.58) SIRT2PARP1ALDH1A1KDM4ELMNA
SCHEMBL12464024 0.77 SIRT2 (0.46) SIRT2PARP1ALDH1A1KDM4ELMNA
SCHEMBL1536605 0.77 SIRT2 (0.50) SIRT2PARP1ALDH1A1KDM4ELMNA
SCHEMBL1536536 0.77 PARP1 (0.60) PARP1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL31743106 0.77 PARP1 (0.60) PARP1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL16211192 0.77
SCHEMBL20356030 0.75 CYP2A6 (0.52) SIRT2LMNACYP1A2CYP3A4TDP1
Bauerine C SCHEMBL18134620 0.75 SIRT2 (1.00) SIRT2ALDH1A1KDM4EHPGDCCR8
Bauerine C SCHEMBL29966457 0.75 SIRT2 (1.00) SIRT2ALDH1A1KDM4EHPGDCCR8
SCHEMBL1536415 0.75 SIRT2 (0.44) SIRT2PARP1ALDH1A1KDM4ELMNA

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 9 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
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 SIRT2 517/4885PARP1 2478/4885ALDH1A1 28/4885

“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.