SCHEMBL4136472

SCHEMBL4136472

CCOC(=O)C(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 4/20 0.58
KMT2A Q03164 3/20 0.56
MAPT P10636 6/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL10771702 0.85 MAPT (0.57) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL4279296 0.85 MAPT (0.57) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL22838052 0.84 MAPT (0.53) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL4053767 0.84 MAPT (0.56) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL1345244 0.83 KMT2A (0.56) GAAKMT2AMAPTLMNAL3MBTL1
SCHEMBL427393 0.83 KMT2A (0.56) GAAKMT2AMAPTLMNAL3MBTL1
SCHEMBL1345434 0.83 KMT2A (0.56) GAAKMT2AMAPTLMNAL3MBTL1
SCHEMBL11795322 0.83 MAPT (0.52) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL1857441 0.83 MAPT (0.54) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL5611041 0.83 MAPT (0.54) ALDH1A1GAAKMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 WO disclosed
WO-2021027721-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
WO-2016138352-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2016-09-01 WO disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
US-4720506-A Immunomodulating agent NIPPON SHINYAKU COMPANY, LIMITED (JP) 1988-01-19 US disclosed
EP-0094599-B1 USE OF AMINOPHENYLACETIC ACID DERIVATIVES FOR THE MANUFACTURE OF AN IMMUNOMODULATING MEDICAL PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1987-04-01 EP disclosed
EP-0094599-A1 Use of aminophenylacetic acid derivatives for the manufacture of an immunomodulating medical preparation MITSUBISHI KASEI CORPORATION (JP) 1983-11-23 EP disclosed
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-3997669-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-12-14 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 (4 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-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885GAA 1899/4885KMT2A 206/4885
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885GAA 1899/4885KMT2A 206/4885
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885GAA 1899/4885KMT2A 206/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885GAA 1899/4885KMT2A 206/4885

“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.