SCHEMBL616791

SCHEMBL616791

O=[N+]([O-])c1cc2[nH]ncc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.53
MAPT P10636 4/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 1/20 0.53
AXL P30530 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
APEX1 P27695 1/20 0.45
NOS3 P29474 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOS2 P35228 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL16751174 0.93 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL11680975 0.86 MAPT (0.59) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL27228526 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL31717179 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL28629877 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL28067945 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL1024276 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL17373905 0.80 NOS1 (0.53) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL1026662 0.78 NOS1 (0.54) NOS1MAPTCYP3A4LMNAALOX15
SCHEMBL29680531 0.78 NOS1 (0.54) NOS1MAPTCYP3A4LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098028-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2026-04-09 US disclosed
US-12441711-B2 Compounds and their use for treatment of hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-14 US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 CN disclosed
US-20250163025-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 US disclosed
US-20250032476-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF UNIV CALIFORNIA (US) 2025-01-30 US disclosed
WO-2024188246-A9 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2024-12-05 WO disclosed
WO-2024188246-A1 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2024-09-19 WO disclosed
EP-4426287-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF The Regents of the University of California (US) 2024-09-11 EP disclosed
US-20240208937-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-27 US disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 WO disclosed
EP-2563358-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011137219-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) SCHERING CORPORATION (US) 2011-11-03 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-20050113370-A1 Therapeutic substituted indazole derivatives ASTRAZENECA AB (SE) 2005-05-26 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 (9 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NOS1 3314/4885MAPT 326/4885CYP3A4 1109/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 NOS1 3314/4885MAPT 326/4885CYP3A4 1109/4885
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 NOS1 3945/4885MAPT 3602/4885CYP3A4 4420/4885
US-20240208937-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBG1, HBG2, HBB NOS1 2512/4885MAPT 4138/4885CYP3A4 1514/4885
US-20250163025-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBG1, HBG2, HBB NOS1 2512/4885MAPT 4138/4885CYP3A4 1514/4885
US-20050113370-A1 Therapeutic substituted indazole derivatives NR4A3, CBR3, NR3C2 NOS1 236/4885MAPT 2429/4885CYP3A4 83/4885
US-20250032476-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF ADRA2A, ADRB2, ADRA2C NOS1 3156/4885MAPT 4117/4885CYP3A4 1027/4885
US-12441711-B2 Compounds and their use for treatment of hemoglobinopathies HBG1, HBG2, HBB NOS1 2512/4885MAPT 4138/4885CYP3A4 1514/4885
US-20260098028-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBZ, HBG2, HBB NOS1 1255/4885MAPT 3444/4885CYP3A4 322/4885

“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.