Sugi Predict

Sugi Predict / Compounds / SCHEMBL5864975

SCHEMBL5864975

SCHEMBL5864975

Cc1cc([N+](=O)[O-])cc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NQO2 P16083 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ GRK5 P34947 1/20 0.39

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
SCHEMBL29664408 1.00 TSHR (0.48) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL220662 0.85 CYP19A1 (0.50) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL2437759 0.85 TSHR (0.58) TSHRALDH1A1HTTMAPTCYP19A1
Ammonia Solution, Strong SCHEMBL28208001 0.83 TSHR (0.56) TSHRALDH1A1HTTMAPTCYP19A1
Ammonia Solution, Strong SCHEMBL28007719 0.81 CYP19A1 (0.46) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL31481313 0.76 MAPT (0.51) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL899149 0.76 TSHR (0.48) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL5652028 0.76 TSHR (0.48) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL4046351 0.76 TSHR (0.44) TSHRALDH1A1HTTMAPTCYP19A1
SCHEMBL22834291 0.76 LMNA (0.50) TSHRALDH1A1HTTMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119893-A1 SUBSTITUTED BICYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2025-06-12 — — WO disclosed
CN-117043153-A Heterocyclic compounds as GLS1 inhibitors 杭州紫晶医药科技有限公司 2023-11-10 — — CN disclosed
EP-2945957-B1 NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2023-11-08 — — EP disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 — — US disclosed
WO-2022122044-A1 HETEROCYCLIC COMPOUND SERVING AS GLS1 INHIBITOR 杭州紫晶医药科技有限公司 2022-06-16 — — WO disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 — — US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 — — CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 — — EP disclosed
WO-2019241787-A9 NOVEL CYCLIC GMP-AMP SYNTHASE (CGAS) INHIBITORS AND THEIR METHOD OF USE THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-02-06 — — WO disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 — — US disclosed
CN-1148356-C Benzosulfone derivatives - 2004-05-05 — — CN disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 — — US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 — — US disclosed
US-20030119870-A1 Pyridine substituted isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — US disclosed
WO-2003040128-A1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-15 — — WO disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 — — WO disclosed
EP-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 — — EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 — — US disclosed
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 — — CN disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 — — 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C TSHR 1254/4885ALDH1A1 832/4885HTT 1397/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C TSHR 1254/4885ALDH1A1 832/4885HTT 1397/4885
US-20030119870-A1 Pyridine substituted isoquinoline derivatives GRIN1, GRIN2C, GRIN2A TSHR 1498/4885ALDH1A1 1287/4885HTT 1686/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885HTT 4447/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885HTT 4447/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885HTT 4447/4885

“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.