SCHEMBL17970902

SCHEMBL17970902

CC(=O)c1nn(CCc2cccc(C(F)(F)F)c2)cc(O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ KCNN4 O15554 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ POLB P06746 1/20 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
SCHEMBL16578560 0.90 DAO (0.43) DAOMAOBKCNN4TAAR1HTR2B
SCHEMBL20751137 0.89 SMN1; SMN2 (0.47) HTTKMT2ADAOMAOBEGFR
SCHEMBL16578866 0.85 DAO (0.40) HTTDAOMAOBKCNN4EGFR
SCHEMBL17970920 0.82 ADORA2A (0.44) DAOPOLB
SCHEMBL17970913 0.81 SIGMAR1 (0.45) L3MBTL1DAOSIGMAR1POLB
SCHEMBL17970918 0.78 LIPG (0.40) MAPTDAOMAOBKCNN4NR3C2
SCHEMBL17970877 0.76 KMT2A (0.55) MAPTKMT2APOLB
SCHEMBL17970910 0.76 SMN1; SMN2 (0.47) HTTMAPTPOLB
SCHEMBL20751239 0.74 DAO (0.41) MAPTDAOMAOBKCNN4SIGMAR1
SCHEMBL16578561 0.72 ALDH1A1 (0.49) KMT2ADAOSIGMAR1

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-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2016-08-04 — — 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-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF PDXK, PNPO, PLPBP HTT 3821/4885MAPT 1738/4885L3MBTL1 3874/4885

“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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