SCHEMBL17713571

SCHEMBL17713571

Cc1ccc(-c2cc(C(F)(F)F)c(=O)n(-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ LMNA P02545 5/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GRM5 P41594 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL6496545 0.81 PTGS1 (0.65) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19642547 0.77 ALDH1A1 (0.58) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL23402744 0.74 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL6451935 0.74 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19642663 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19625345 0.73 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL1143708 0.73 RAB9A (1.00) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19660147 0.72 SMN1; SMN2 (0.62) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19660194 0.72 AHR (0.49) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19626646 0.71 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9AALDH1A1NPC1

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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 — — US claimed
EP-3212190-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES Université De Reims Champagne-Ardenne (FR) 2017-09-06 — — EP disclosed
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 — — US disclosed
WO-2016066973-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2016-05-06 — — WO 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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 SMN1; SMN2 1466/4885MAPT 4332/4885RAB9A 1647/4885

“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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