SCHEMBL22977718

SCHEMBL22977718

Cc1nn(C)c(=O)c(C(=O)c2cccc3ccccc23)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.48
▸ CNR1 P21554 8/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ CDC25B P30305 2/20 0.45

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
SCHEMBL22977721 0.86 CNR2 (0.44) CNR2CNR1MEN1NR1I2ALDH1A1
SCHEMBL22977703 0.84 CNR2 (0.46) CNR2CNR1MEN1NR1I2ALDH1A1
SCHEMBL22977710 0.76 CNR2 (0.42) CNR2CNR1MEN1NR1I2ALDH1A1
SCHEMBL21178996 0.76 SMN1; SMN2 (0.33) CNR2CNR1MEN1NR1I2ALDH1A1
SCHEMBL22977706 0.76 SMN1; SMN2 (0.33) CNR2CNR1MEN1NR1I2ALDH1A1
SCHEMBL17224789 0.75 DHFR (0.43) MEN1ALDH1A1CYP1A2MAPTHPGD
SCHEMBL30576349 0.75 DHFR (0.43) MEN1ALDH1A1CYP1A2MAPTHPGD
SCHEMBL22977704 0.73 KMT2A (0.44) MEN1ALDH1A1MAPTKMT2A
SCHEMBL22977712 0.70 RAB9A (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL22977708 0.70 RAB9A (0.33) MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES FMC CORP (US) 2021-02-18 — — 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-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES CYP1A2, CYP1B1, CYP1A1 CNR2 504/4885CNR1 630/4885MEN1 4471/4885

“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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