Sugi Predict

Sugi Predict / Compounds / SCHEMBL3537490

SCHEMBL3537490

SCHEMBL3537490

CCOc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.62
▸ TSHR P16473 3/20 0.59
▸ CASP6 P55212 2/20 0.58
▸ MYC P01106 1/20 0.58
▸ MAX P61244 1/20 0.58
▸ HCAR3 P49019 5/20 0.54
▸ EP300 Q09472 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50

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
Hydrochloric Acid SCHEMBL3729179 0.98 MAPT (0.60) MAPTTSHRCASP6MYCMAX
SCHEMBL3574447 0.88 AKR1C3 (0.58) MAPTTSHRCASP6MYCMAX
SCHEMBL1402203 0.88 MAPT (0.65) MAPTTSHRCASP6HCAR3POLB
SCHEMBL13318974 0.88 POLB (0.59) MAPTMYCMAXAKR1C3AKR1C2
SCHEMBL223553 0.87 AKR1C3 (0.67) TSHRCASP6MYCMAXHCAR3
Hydrochloric Acid SCHEMBL11776063 0.87 MAPT (0.64) MAPTTSHRCASP6HCAR3POLB
SCHEMBL1935497 0.87 MAPK1 (0.60) MAPTTSHRPOLBLMNAGAA
SCHEMBL3729178 0.87 MAPT (0.52) MAPTTSHRMYCMAXAKR1C3
SCHEMBL16960732 0.86 MAPT (0.55) MAPTMYCMAXAKR1C3AKR1C2
SCHEMBL7833539 0.86 PLA2G4B (0.63) TSHRCASP6MYCMAXHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 — — US disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 — — US disclosed
US-20230212174-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF TENCENT TECHNOLOGY (SHENZHEN) COMPANY LIMITED (CN) 2023-07-06 — — US disclosed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 — — CN disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 — — US disclosed
EP-3575299-B1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-07-20 — — EP disclosed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 — — WO disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 — — US disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 — — US disclosed
EP-3575299-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS Cancer Research Technology Limited (GB) 2019-12-04 — — EP disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 — — US disclosed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 — — EP disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 — — US disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 — — WO disclosed
EP-0187231-B1 AMINO PHENYL BENZOTHIAZOLES BAYER AG (DE) 1990-01-17 — — EP disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 — — US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 — — EP disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 — — EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 — — US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 — — 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-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 MAPT 1323/4885TSHR 2982/4885CASP6 4365/4885
US-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 MAPT 2039/4885TSHR 3436/4885CASP6 2508/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 MAPT 1323/4885TSHR 2982/4885CASP6 4365/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 MAPT 1323/4885TSHR 2982/4885CASP6 4365/4885
US-20230212174-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVE AND USE THEREOF CYP11B2, CYP11B1, CYP4F11 MAPT 29/4885TSHR 2168/4885CASP6 2834/4885
US-20200165241-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 MAPT 1323/4885TSHR 2982/4885CASP6 4365/4885

“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.