SCHEMBL480995

SCHEMBL480995

CC(=O)c1ccc([N+](=O)[O-])c(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ GPR35 Q9HC97 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30957331 0.81 GPR35 (0.41) TSHRTDP1GPR35SMN1; SMN2MAPT
SCHEMBL20741601 0.78 TSHR (0.49) TSHRTDP1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1265167 0.77 TDP1 (0.54) TSHRTDP1GPR35SMN1; SMN2MAPT
SCHEMBL2651124 0.77 TDP1 (0.54) TSHRTDP1GPR35SMN1; SMN2MAPT
SCHEMBL312392 0.76 GPR35 (0.64) TSHRTDP1GPR35SMN1; SMN2L3MBTL1
SCHEMBL29506396 0.76 GPR35 (0.64) TSHRTDP1GPR35SMN1; SMN2L3MBTL1
SCHEMBL30041946 0.76 TSHR (0.74) TSHRTDP1SMN1; SMN2MAPTCYP2C9
SCHEMBL2932050 0.76 TSHR (0.74) TSHRTDP1SMN1; SMN2MAPTCYP2C9
SCHEMBL28755195 0.76 TDP1 (0.52) TSHRTDP1GPR35SMN1; SMN2MAPT
SCHEMBL14577245 0.76 BCHE (0.47) TSHRTDP1GPR35SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
EP-3668496-A1 AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-06-24 — — EP disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — US disclosed
WO-2019036657-A1 AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2019-02-21 — — WO disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 — — EP disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 — — US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 — — US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 — — US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 — — EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 — — WO disclosed
CN-1083843-C 2-(aminomethyl)-3,4,7,-9-tetrahydro-2H-pyrano-[2,3-e] indol-8-ones and derivatives AMERICAN HOME PROD (US) 2002-05-01 — — CN disclosed
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 — — EP disclosed
US-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 — — US disclosed
CN-1151989-A 2-(aminomethyl)-3,4,7,-9-tetrahydro-2H-pyrano-[2,3-e] indol-8-ones and derivatives AMERICAN HOME PROD (US) 1997-06-18 — — CN disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 — — 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 (6 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 TSHR 248/4885TDP1 4070/4885GPR35 110/4885
US-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TSHR 1220/4885TDP1 3458/4885GPR35 133/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TSHR 1220/4885TDP1 3458/4885GPR35 133/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TSHR 480/4885TDP1 3666/4885GPR35 67/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TSHR 1220/4885TDP1 3458/4885GPR35 133/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TSHR 1220/4885TDP1 3458/4885GPR35 133/4885

“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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