SCHEMBL509096

SCHEMBL509096

COC(=O)c1sc(N)nc1-c1nccc(N2CCN(C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ CYP1A2 P05177 7/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CYP2D6 P10635 4/20 0.47
▸ USP2 O75604 4/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ HSD17B10 Q99714 5/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL509450 0.90 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6USP2
SCHEMBL508384 0.89 ALDH1A1 (0.39) HRH3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL510233 0.88 PIK3CA (0.47) ALDH1A1CYP1A2USP2CYP2C19HSD17B10
SCHEMBL509504 0.87 ALDH1A1 (0.47) HRH4HRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL509103 0.86 WNT1 (0.37) HRH4HRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL10170681 0.80 HRH4 (0.56) HRH4HRH3ALDH1A1CYP1A2CYP3A4
SCHEMBL509579 0.77 EIF2AK4 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6USP2
SCHEMBL3406290 0.77 KDM4E (0.43) ALDH1A1CYP3A4HSD17B10CASP1CASP7
SCHEMBL508635 0.76 PIK3CA (0.48) ALDH1A1CYP1A2USP2CYP2C19HSD17B10
SCHEMBL510340 0.76 PIK3CD (0.39) HRH3ALDH1A1CYP1A2CYP3A4CYP2D6

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 7 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-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 HRH4 744/4885HRH3 1206/4885ALDH1A1 119/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 HRH4 1025/4885HRH3 1190/4885ALDH1A1 609/4885

“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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