SCHEMBL2449495

SCHEMBL2449495

CCCCCSc1ccccc1/C(=N/N(C)C)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 4/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
THRB P10828 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
EPHX2 P34913 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL2449496 1.00 HSD17B10 (0.40) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2456044 0.97 HSD17B10 (0.41) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2456042 0.97 HSD17B10 (0.41) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2446737 0.92 HSD17B10 (0.40) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2446733 0.92 HSD17B10 (0.40) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2453633 0.88 HSD17B10 (0.48) HSD17B10HPGDTDP1ALDH1A1ADRB2
SCHEMBL2453630 0.88 HSD17B10 (0.48) HSD17B10HPGDTDP1ALDH1A1ADRB2
SCHEMBL2453104 0.86 ALDH1A1 (0.38) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2453101 0.86 ALDH1A1 (0.38) HSD17B10HPGDTDP1ALDH1A1PTGS2
SCHEMBL2454877 0.82 TDP1 (0.42) HSD17B10HPGDTDP1ALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 HSD17B10 1569/4885HPGD 967/4885TDP1 4865/4885

“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.