SCHEMBL17819869

SCHEMBL17819869

Cc1cc(Br)c2oc3ccc([N+](=O)[O-])cc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 4/20 0.46
▸ GABRD O14764 4/20 0.46
▸ GABRA1 P14867 4/20 0.46
▸ GABRB1 P18505 4/20 0.46
▸ GABRG2 P18507 4/20 0.46
▸ GABRB3 P28472 4/20 0.46
▸ GABRA5 P31644 4/20 0.46
▸ GABRA3 P34903 4/20 0.46
▸ GABRA2 P47869 4/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ GABRA4 P48169 4/20 0.46
▸ GABRE P78334 4/20 0.46
▸ GABRA6 Q16445 4/20 0.46
▸ GABRG1 Q8N1C3 4/20 0.46
▸ GABRG3 Q99928 4/20 0.46
▸ GABRQ Q9UN88 4/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL17819790 0.85 KDM1A (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9187037 0.82 KDM1A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17820661 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9189119 0.79 KDM1A (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11661116 0.77 ALDH1A1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9187016 0.76 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17820038 0.74 KDM1A (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11233028 0.74 KDM1A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17820197 0.73 KDM1A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6524056 0.72 MAPT (0.69) GABRPGABRDGABRA1GABRB1GABRG2

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 9 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
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 GABRP 4140/4885GABRD 3886/4885GABRA1 3017/4885

“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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