SCHEMBL18394407

SCHEMBL18394407

O=[N+]([O-])c1cccc(-c2cccn3cnnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ PTPRC P08575 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL11382851 0.72 KEAP1 (0.49) CASP3SENP8SENP7SENP6MAPT
SCHEMBL6738366 0.69 TSHR (0.76) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8051514 0.67 ALDH1A1 (0.67) PTPRCMAPTRAB9AALDH1A1NPC1
Iodide SCHEMBL30804629 0.67 TSHR (0.73) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28471286 0.67 TSHR (0.73) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11392461 0.67 TSHR (0.73) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11392466 0.67 TSHR (0.73) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
Iodide SCHEMBL28598177 0.67 TSHR (0.73) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27554161 0.67 ATM (0.48) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5737718 0.67 CASP3 (0.64) CASP3SENP8SENP7SENP6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 — — US disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 — — 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC CASP3 2492/4885SENP8 4430/4885SENP7 4303/4885

“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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