Sugi Predict

Sugi Predict / Compounds / SCHEMBL6136028

SCHEMBL6136028

SCHEMBL6136028

Cc1c(C(=O)O)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ DTYMK P23919 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38

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
SCHEMBL11320320 0.87 GPR35 (0.42) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11317490 0.86 LMNA (0.44) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1478701 0.85 ALDH1A1 (0.60) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3291904 0.85 ALDH1A1 (0.60) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11756245 0.85 TSHR (0.53) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29634343 0.85 TSHR (0.53) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10540603 0.83 TSHR (0.51) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL31188092 0.81 TSHR (0.50) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10536923 0.80 ALDH1A1 (0.43) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10541222 0.80 ALDH1A1 (0.46) TSHRALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 — — US disclosed
US-12357639-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2025-07-15 — — US disclosed
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2024-05-16 — — US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 — — EP disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 — — US disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 — — US disclosed
EP-3684767-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2020-07-29 — — EP disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 — — WO disclosed
EP-0954299-B1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS OCTAMER INC (US) 2005-07-27 — — EP disclosed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 — — EP disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 — — WO disclosed
US-4806151-A ESTERIFICATION, THEN AMINATION OF 4-CHLORO-3,5-DINITRO-BENZOIC ACID; ACID CATALYST, SALT FORMATION OF EXCESS; FUNGICIDES, HERBICIDES BUDAPESTI VEGYIMUVEK (HU) 1989-02-21 — — US disclosed
US-4344964-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS C. H. BOEHRINGER SOHN (DE) 1982-08-17 — — US disclosed
US-4297127-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1981-10-27 — — US disclosed
US-4251264-A 4-CYANO SUBSTITUTED AMERICAN CYANAMID COMPANY (US) 1981-02-17 — — US disclosed
US-4180679-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-12-25 — — US disclosed
US-4166908-A SELECTIVE PREEMERGENT ACTIVITY AMERICAN CYANAMID COMPANY (US) 1979-09-04 — — US disclosed
US-4165231-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1979-08-21 — — US disclosed
US-4098812-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-07-04 — — US disclosed
US-4025538-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1977-05-24 — — 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 (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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 TSHR 3420/4885ALDH1A1 249/4885CYP1A2 194/4885
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 TSHR 251/4885ALDH1A1 2833/4885CYP1A2 2542/4885
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 TSHR 2182/4885ALDH1A1 86/4885CYP1A2 443/4885
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 TSHR 3420/4885ALDH1A1 249/4885CYP1A2 194/4885
US-12357639-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 TSHR 2182/4885ALDH1A1 86/4885CYP1A2 443/4885

“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.