SCHEMBL17820523

SCHEMBL17820523

CC(=O)c1nccc(C(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.41
SMARCA2 P51531 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IDH1 O75874 3/20 0.33
IDH2 P48735 2/20 0.33
TGFBR1 P36897 6/20 0.32
TGFBR2 P37173 6/20 0.32
KMO O15229 3/20 0.32
SMARCA4 P51532 1/20 0.31

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
SCHEMBL14995763 0.81 KDM4E (0.37) SMARCA2SMN1; SMN2ALDH1A1
SCHEMBL17819972 0.74 SORD (0.41) SORDALDH1A1KMO
SCHEMBL1256533 0.72 ALDH1A1 (0.47) SORDSMN1; SMN2ALDH1A1KMO
SCHEMBL882969 0.72 SORD (0.45) SORDSMN1; SMN2ALDH1A1KMO
SCHEMBL25659071 0.72 SORD (0.42) SORDALDH1A1KMO
SCHEMBL17820819 0.72 SORD (0.42) SORDALDH1A1KMO
SCHEMBL16421042 0.71 SORD (0.44) SORDALDH1A1KMO
SCHEMBL8159378 0.71 SORD (0.44) SORDSMARCA2SMN1; SMN2ALDH1A1KMO
Hydrochloric Acid SCHEMBL8170615 0.71 SORD (0.44) SORDSMN1; SMN2ALDH1A1KMO
SCHEMBL25659397 0.70 SORD (0.41) SORDALDH1A1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 SORD 2965/4885SMARCA2 848/4885SMN1; SMN2 1734/4885

“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.