SCHEMBL10170686

SCHEMBL10170686

Cc1sc(Cl)nc1-c1nccc(N2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ CYP1A2 P05177 8/20 0.41
▸ HSD17B10 Q99714 8/20 0.41
▸ USP2 O75604 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 4/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CYP3A4 P08684 4/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAOB P27338 2/20 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
SCHEMBL10170689 0.88 CYP1A2 (0.54) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170687 0.88 CYP1A2 (0.54) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170691 0.85 CYP1A2 (0.40) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170679 0.84 CXCR4 (0.42) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170690 0.82 CYP1A2 (0.38) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL509579 0.80 EIF2AK4 (0.39) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170680 0.74 CYP1A2 (0.53) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170681 0.73 HRH4 (0.56) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10170683 0.70 HRH3 (0.40) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL13750595 0.70 CXCR4 (0.51) USP2KMT2ACXCR4L3MBTL1HRH4

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 1 patent. 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

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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR ALDH1A1 119/4885CYP1A2 252/4885HSD17B10 2750/4885

“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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