SCHEMBL509450

SCHEMBL509450

COC(=O)c1sc(N)nc1-c1nccc(N2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ CDK8 P49336 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NR2C2 P49116 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL509096 0.90 HRH4 (0.48) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL510233 0.89 PIK3CA (0.47) ALDH1A1MAPTSMN1; SMN2ROCK2HSD17B10
SCHEMBL508384 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL509579 0.87 EIF2AK4 (0.39) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL509103 0.85 WNT1 (0.37) ALDH1A1MAPTPOLBSMN1; SMN2NPSR1
SCHEMBL13329922 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10170679 0.80 CXCR4 (0.42) ALDH1A1SMN1; SMN2CXCR4HSD17B10PIM1
SCHEMBL3406290 0.77 KDM4E (0.43) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL508635 0.77 PIK3CA (0.48) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL509504 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 — — EP disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 — — 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 (2 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR ALDH1A1 119/4885KDM4E 3919/4885MAPT 2953/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 ALDH1A1 609/4885KDM4E 2849/4885MAPT 2680/4885

“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.

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