SCHEMBL18780770

SCHEMBL18780770

CON(C)C(=O)c1nn(-c2ccccc2OC(F)F)cc(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
KCNN4 O15554 2/20 0.35
MET P08581 1/20 0.34
P2RX7 Q99572 6/20 0.33
NR1I2 O75469 1/20 0.32
ALKBH1 Q13686 1/20 0.32
TNF P01375 1/20 0.31
APLNR P35414 1/20 0.30

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
SCHEMBL519829 0.90 KCNN4 (0.37) HCRTR1HCRTR2KCNN4P2RX7
SCHEMBL10258727 0.85 NR1I2 (0.41) KCNN4METP2RX7NR1I2
SCHEMBL10258535 0.85 MET (0.36) HCRTR1HCRTR2KCNN4METP2RX7
SCHEMBL10258520 0.83 MET (0.38) KCNN4METP2RX7NR1I2
SCHEMBL10266959 0.82 ALDH1A1 (0.37) HCRTR1HCRTR2KCNN4MET
SCHEMBL7792887 0.81 KCNN4 (0.38) HCRTR1HCRTR2KCNN4P2RX7NR1I2
SCHEMBL10259058 0.78 MET (0.33) HCRTR1HCRTR2MET
SCHEMBL16625716 0.76 KDM4E (0.40)
SCHEMBL518986 0.75 KCNN4 (0.40) KCNN4P2RX7NR1I2
SCHEMBL10258608 0.74 ALOX15 (0.36) HCRTR1HCRTR2P2RX7

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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B HCRTR1 2757/4885HCRTR2 3090/4885KCNN4 963/4885

“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.