Sugi Predict

Sugi Predict / Compounds / SCHEMBL1625586

SCHEMBL1625586

SCHEMBL1625586

Cc1cc(Cl)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 4/20 0.41
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ DCTPP1 Q9H773 3/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TLR9 Q9NR96 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL29367224 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL18226831 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL30841780 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL563664 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL29672031 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL803098 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL5763814 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL8033158 0.80 ALDH1A1 (0.43) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL22833440 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL18031283 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800905-A Preparation method of 4- (2, 6-dimethyl-3-nitropyridin-4-ylamino) phenethyl carbamic acid benzyl ester 洛阳惠中兽药有限公司 2024-04-02 — — CN claimed
CN-117466888-A Preparation method of 1H-imidazo [4,5-C ] pyridine compound 西北农林科技大学 2024-01-30 — — CN claimed
CN-113999167-B Preparation method of 4-chloro-2,6-dimethyl-3-nitropyridine 蚌埠中实化学技术有限公司 2023-09-29 — — CN claimed
CN-113999167-A Preparation method of 4-chloro-2,6-dimethyl-3-nitropyridine 蚌埠中实化学技术有限公司 2022-02-01 — — CN claimed
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 — — US disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 — — US disclosed
US-20240343725-A1 A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2024-10-17 — — US disclosed
WO-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
US-20240254120-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF ASKAT INC. (JP) 2024-08-01 — — US disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 — — US disclosed
CN-117800905-A Preparation method of 4- (2, 6-dimethyl-3-nitropyridin-4-ylamino) phenethyl carbamic acid benzyl ester 洛阳惠中兽药有限公司 2024-04-02 — — CN disclosed
CN-117800905-A Preparation method of 4- (2, 6-dimethyl-3-nitropyridin-4-ylamino) phenethyl carbamic acid benzyl ester 洛阳惠中兽药有限公司 2024-04-02 — — CN disclosed
US-4792554-A Pyridine compounds, pharaceutical compositions, their use in allergy therapy HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-20 — — US disclosed
EP-0250436-A1 MULTIPLY-SUBSTITUTED PYRIDINE-1-OXIDES, PROCESS FOR THEIR PRODUCTION, THE MEDICINES CONTAINING THESE AND THE USE THEREOF. HOECHST AG (DE) 1988-01-07 — — EP disclosed
CN-86107899-A The novel basic substituted pyridine compound, preparation method, contained drug and application thereof — 1987-07-29 — — CN disclosed
EP-0224159-A1 Pyridine compounds, substituted by basic groups, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 — — EP disclosed
WO-1986006067-A1 MULTIPLY-SUBSTITUTED PYRIDINE-1-OXIDES, PROCESS FOR THEIR PRODUCTION, THE MEDICINES CONTAINING THESE AND THE USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-23 — — WO disclosed
EP-0013408-B1 4-AMINOPYRIDINES, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-26 — — EP disclosed
US-4289765-A BRONCHOSPASMOLYTIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 — — US disclosed
EP-0013408-A1 4-Aminopyridines, process for their preparation and drugs containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 — — 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 (5 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-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 ALDH1A1 1628/4885TSHR 2539/4885MAPT 3820/4885
US-20240343725-A1 A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES GRIA4, GTF2I, UGT1A4 ALDH1A1 483/4885TSHR 2324/4885MAPT 4421/4885
US-20240254120-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF PTGER4, EPB41, CDK4 ALDH1A1 2142/4885TSHR 3172/4885MAPT 4594/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH ALDH1A1 1524/4885TSHR 3448/4885MAPT 15/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 ALDH1A1 1628/4885TSHR 2539/4885MAPT 3820/4885

“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.