Sugi Predict

Sugi Predict / Compounds / SCHEMBL928995

SCHEMBL928995

SCHEMBL928995

Cc1cc([N+](=O)[O-])c(Br)c[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ TSHR P16473 3/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ ESPL1 Q14674 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10263229 0.81 ALDH1A1 (0.42) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL6508786 0.81 ALDH1A1 (0.40) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL540381 0.81 MAPT (0.45) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL9455823 0.79 VCAM1 (0.44) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL5258907 0.78 ESPL1 (0.47) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL28980003 0.78 VCAM1 (0.39) MAPTKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL10330659 0.77 MAPT (0.36) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL10664976 0.75 ALDH1A1 (0.44) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL5763802 0.74 GPR35 (0.46) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL7035672 0.74 TSHR (0.44) MAPTKDM4EHTTNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282792-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2025-09-11 — — US disclosed
CN-118852154-A Carboxamide substituted hetero tricyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-10-29 — — CN disclosed
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 — — US disclosed
WO-2024008113-A1 FORMAMIDE-SUBSTITUTED HETEROTRICYCLIC DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-01-11 — — WO disclosed
CN-117362304-A Carboxamide substituted hetero tricyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-01-09 — — CN disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 — — US disclosed
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 — — US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 — — EP disclosed
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业（成都）有限公司 2023-06-13 — — CN disclosed
CN-115835867-A Benzimidazole derivative, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2023-03-21 — — CN disclosed
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 — — EP disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 — — EP disclosed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 — — WO disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 — — WO disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 — — US disclosed
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 — — US disclosed
EP-0184322-B1 BENZIMIDAZOLES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 — — EP disclosed
EP-0184322-A1 Benzimidazoles SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-06-11 — — EP disclosed
CN-85108133-A Compounds process for production thereof — 1986-04-10 — — CN 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R MAPT 1723/4885KDM4E 1669/4885HTT 305/4885
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 MAPT 4728/4885KDM4E 4283/4885HTT 4549/4885
US-20250282792-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR MAPT 4248/4885KDM4E 1789/4885HTT 1759/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MAPT 4248/4885KDM4E 1789/4885HTT 1759/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPT 602/4885KDM4E 2704/4885HTT 4012/4885

“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.