Sugi Predict

Sugi Predict / Compounds / SCHEMBL6316786

SCHEMBL6316786

SCHEMBL6316786

CCN1C(=O)/C(=N\OC)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ FTO Q9C0B1 2/20 0.34
▸ PABPC1 P11940 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL6316788 1.00 IDO1 (0.35) IDO1RAB9AMEN1KMT2AMAPT
SCHEMBL6316214 0.85 ALDH1A1 (0.44) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6316121 0.84 CASP1 (0.47) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6316119 0.84 CASP1 (0.47) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6319581 0.84 CASP1 (0.39) IDO1RAB9AMEN1KMT2AMAPT
SCHEMBL6319586 0.84 CASP1 (0.39) IDO1RAB9AMEN1KMT2AMAPT
SCHEMBL9177655 0.80 CASP1 (0.42) MAPTALDH1A1HTTHPGDCYP1A2
SCHEMBL6322891 0.73 PPARG (0.46) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6322889 0.73 PPARG (0.46) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL6317019 0.72 CASP1 (0.47) RAB9AMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 — — US claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 — — US claimed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 — — US disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 — — US disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 — — EP disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 — — US disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 — — 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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 IDO1 518/4885RAB9A 2646/4885MEN1 2958/4885

“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.