SCHEMBL3820980

SCHEMBL3820980

CN(N=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ GFER P55789 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 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
SCHEMBL11699938 0.87 ALDH1A1 (0.50) ALDH1A1GFERHPGDKMT2ARAB9A
SCHEMBL31419288 0.78 ALDH1A1 (0.44) ALDH1A1GFERHPGDKMT2ARAB9A
SCHEMBL14399909 0.78 GFER (0.63) ALDH1A1GFERHPGDKMT2ASMN1; SMN2
SCHEMBL29495959 0.76 ALDH1A1 (0.45) ALDH1A1GFERHPGDKMT2ASMN1; SMN2
SCHEMBL29495956 0.76 ALDH1A1 (0.45) ALDH1A1GFERHPGDKMT2ASMN1; SMN2
SCHEMBL14371149 0.76 ALDH1A1 (0.43) ALDH1A1GFERKMT2ASMN1; SMN2MEN1
SCHEMBL8498706 0.73 ATM (0.44) ALDH1A1CES2CES1KMT2ASMN1; SMN2
SCHEMBL8498707 0.73 ATM (0.44) ALDH1A1CES2CES1KMT2ASMN1; SMN2
SCHEMBL10498731 0.72 ALDH1A1 (0.50) ALDH1A1GFERHPGDKMT2ARAB9A
SCHEMBL8087997 0.70 ALDH1A1 (0.70) ALDH1A1GFERHPGDKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595320-B2 Hydrazinocarbonyl-thieno[2,3-C]pyrazoles, process for preparing them, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-29 — — US disclosed
EP-1858898-B1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA SA (FR) 2009-08-26 — — EP disclosed
US-20080146542-A1 Hydrazinocarbonyl-thieno[2,3-C]pyrazoles, Process for Preparing Them, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-19 — — US disclosed
CN-101151268-A Hydrazinocarbonyl-thieno[2,3-c]pyrazoles, preparation method, compositions containing same and use AVENTIS PHARMA SA (FR) 2008-03-26 — — CN disclosed
EP-1858898-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2007-11-28 — — EP disclosed
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 — — 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-20080146542-A1 Hydrazinocarbonyl-thieno[2,3-C]pyrazoles, Process for Preparing Them, Compositions Containing Them and Use Thereof TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CASP3 ALDH1A1 467/4885GFER 3424/4885HPGD 197/4885

“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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