Sugi Predict

Sugi Predict / Compounds / SCHEMBL5236401

SCHEMBL5236401

SCHEMBL5236401

C/C=C\c1c([N+](=O)[O-])ccc2c1O[C@@H](COS(=O)(=O)c1ccc(C)cc1)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.38
▸ LMNA P02545 7/20 0.38
▸ PKM P14618 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL4362808 1.00 MAPT (0.38) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4363822 1.00 MAPT (0.38) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL13927895 1.00 MAPT (0.38) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4367913 1.00 MAPT (0.38) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4362805 1.00 MAPT (0.38) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4358721 0.91 PRMT5 (0.39) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4363858 0.91 PRMT5 (0.39) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4357745 0.91 MAPT (0.37) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4360354 0.91 MAPT (0.37) MAPTLMNAPKMTDP1ALDH1A1
SCHEMBL4357747 0.91 MAPT (0.37) MAPTLMNAPKMTDP1ALDH1A1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 — — EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 — — EP disclosed
US-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists WYETH 2006-11-23 — — US disclosed
EP-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 — — EP disclosed
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 — — EP disclosed
US-7008944-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-Dioxino[2,3-f]quinoxaline WYETH (US) 2006-03-07 — — US disclosed
EP-1401839-B9 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-11-30 — — EP disclosed
EP-1401839-B1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-09-07 — — EP disclosed
US-6927226-B2 Antidepressant azaheterocyclymethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2005-08-09 — — US disclosed
EP-1546151-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-29 — — EP disclosed
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088129-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088140-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088130-A1 AZABICYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-F]QUINOLINE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088134-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 1,3,7,8-TETRAHYDRO-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[A]-NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088146-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-10-31 — — WO disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 — — US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 — — 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-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists HTR2C, HTR5A, HTR1B MAPT 928/4885LMNA 3230/4885PKM 4629/4885

“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.