SCHEMBL2310458

SCHEMBL2310458

Oc1ccc2c(Cl)nncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.34
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
LMNA P02545 2/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B1 P14061 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL30317642 0.80 FLT1 (0.39) POLBALDH1A1
SCHEMBL398775 0.80 FLT1 (0.39) POLBALDH1A1
SCHEMBL30493123 0.77 TLR8 (0.35) HSD17B10CYP1A2ESR1ESR2LMNA
SCHEMBL29496596 0.77 C1S (0.38) CYP11B1CYP11B2CYP1A2MEN1KMT2A
SCHEMBL396312 0.77 NOS1 (0.36) CYP11B1CYP11B2CYP1A2MEN1POLB
SCHEMBL31146629 0.73 JUN (0.39) HSD17B10KDM4E
SCHEMBL3373707 0.73 C1S (0.43) CYP17A1CYP3A4CYP11B1CYP11B2HSD17B10
SCHEMBL11113178 0.73
SCHEMBL31729204 0.72 HSD17B10 (0.38) CYP17A1CYP3A4CYP11B1CYP11B2HSD17B10
SCHEMBL11127575 0.72 MTNR1A (0.32) CYP3A4CYP1A2ESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989452-B2 Sterile injectible solution of drug in solvent or diluent BIONICHE TEORANTA (IE) 2011-08-02 US disclosed
US-7220858-B2 Synthesis of hydrazine and chlorinated derivatives of bicyclic pyridazines BARBEAU PHARMA, INC. (US) 2007-05-22 US disclosed
US-20050137198-A1 Stable hydrazalazine pharmaceutical compositions BIONICHE TEORANTA 2005-06-23 US disclosed
US-20050137397-A1 Synthesis of hydrazine derivatives of pyridazine BIONICHE TEORANTA 2005-06-23 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 (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-20050137198-A1 Stable hydrazalazine pharmaceutical compositions H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SPOP, H1-5 CYP17A1 1007/4885CYP3A4 159/4885CYP11B1 356/4885
US-20050137397-A1 Synthesis of hydrazine derivatives of pyridazine DHPS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPD CYP17A1 3120/4885CYP3A4 193/4885CYP11B1 644/4885

“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.