SCHEMBL6777347

SCHEMBL6777347

COc1ccc(CNC=O)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PTPN7 P35236 2/20 0.44
DUSP3 P51452 2/20 0.44
ROCK2 O75116 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
ROCK1 Q13464 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL5546561 0.88 ALDH1A1 (0.41) ALDH1A1PTPN7DUSP3KDM4ETDP1
SCHEMBL3306706 0.81 KDM1A (0.49) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL13452437 0.81 HTR7 (0.54) ALDH1A1PTPN7DUSP3ROCK2S1PR1
SCHEMBL1295898 0.81 ALDH1A1 (0.45) ALDH1A1PTPN7DUSP3S1PR1
SCHEMBL3320729 0.81 ADH1B (0.46) PTPN7DUSP3ADH1BADH1CADH1A
SCHEMBL1486251 0.81 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4027237 0.80 ADH1B (0.44) PTPN7DUSP3ADH1BADH1CADH1A
SCHEMBL15432479 0.79 PTPN7 (0.45) ALDH1A1PTPN7DUSP3ROCK2S1PR1
SCHEMBL3310956 0.78 PTPN7 (0.49) PTPN7DUSP3ADH1BADH1CADH1A
SCHEMBL18482218 0.78 CASR (0.47) ALDH1A1PTPN7DUSP3ROCK2KDM4E

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-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 ALDH1A1 410/4885PTPN7 2534/4885DUSP3 3502/4885

“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.