SCHEMBL3858573

SCHEMBL3858573

CCOC(=O)c1cc2c(NC(=O)c3ccc(OC)cc3)nn(C(C)OCC)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.43
▸ TP53 P04637 2/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 3/20 0.39

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
SCHEMBL3820144 0.91 P2RY14 (0.43) ALDH1A1NPC1RXFP1NPSR1CYP1A2
SCHEMBL1263492 0.83 HPGD (0.50) ALDH1A1NPC1RXFP1NPSR1HPGD
SCHEMBL1262723 0.75 KDM4E (0.47) ALDH1A1NPSR1CYP1A2CYP2C9HPGD
SCHEMBL18529056 0.71 PKM (0.43) ALDH1A1NPC1NPSR1CYP1A2CYP2C9
SCHEMBL1263007 0.70 KDM4E (0.50) ALDH1A1NPC1NPSR1GAAHPGD
SCHEMBL18529035 0.68 KDM4E (0.39) ALDH1A1NPC1HPGDMAPTKDM4E
SCHEMBL2410354 0.67 HPGD (0.47) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL742441 0.67 ADORA2A (0.46) ALDH1A1RXFP1NPSR1CYP1A2CYP2C9
SCHEMBL13187111 0.66 KDM4E (0.54) ALDH1A1NPC1RXFP1NPSR1CYP1A2
SCHEMBL742843 0.66 LMNA (0.47) ALDH1A1RXFP1NPSR1CYP1A2CYP2C9

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 2 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
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

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 467/4885NPC1 2349/4885RXFP1 4636/4885

“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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