SCHEMBL7091828

SCHEMBL7091828

O=C(O)C(=Cc1ccccc1)c1cnccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
AKR1C1 Q04828 1/20 0.51
KDM4E B2RXH2 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10578636 0.80 KMT2A (0.54) KMT2AMAPTPOLBHTTHPGD
SCHEMBL10567171 0.77 KMT2A (0.52) KMT2AMAPTPOLBHTTHPGD
SCHEMBL27313644 0.76 KDM4E (0.57) KMT2AMAPTPOLBHTTHPGD
SCHEMBL29071871 0.75 CYP19A1 (0.60) KMT2AMAPTPOLBHTTHPGD
SCHEMBL8646379 0.75 AKR1C1 (0.68) KMT2AMAPTRAB9ANPC1AKR1C1
SCHEMBL8646375 0.75 AKR1C1 (0.68) KMT2AMAPTRAB9ANPC1AKR1C1
SCHEMBL22014376 0.74 MAPT (0.69) KMT2AMAPTPOLBHTTHPGD
SCHEMBL10567185 0.74 MAPT (0.69) KMT2AMAPTPOLBHTTHPGD
SCHEMBL9835080 0.72 AKR1C1 (0.68) KMT2AMAPTRAB9ANPC1AKR1C1
SCHEMBL7091834 0.72 AKR1C1 (0.53) KMT2AMAPTPOLBHTTHPGD

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-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US claimed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US claimed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 KMT2A 3020/4885MAPT 3844/4885POLB 2743/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 KMT2A 2446/4885MAPT 4097/4885POLB 2853/4885

“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.