SCHEMBL1479880

SCHEMBL1479880

COC(=O)c1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.49
NOTUM Q6P988 1/20 0.49
CYP2D6 P10635 1/20 0.49
ERN1 O75460 1/20 0.48

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
SCHEMBL18862780 0.87 VCAM1 (0.58) VCAM1MAPTGAAALDH1A1LMNA
SCHEMBL31450151 0.87 VCAM1 (0.58) VCAM1MAPTGAAALDH1A1LMNA
SCHEMBL5734347 0.85 VCAM1 (0.68) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL30863327 0.83 VCAM1 (0.66) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL9118439 0.83 KMT2A (0.64) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL531728 0.82 VCAM1 (0.64) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL193275 0.82 TSHR (0.68) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL13858799 0.82 VCAM1 (0.64) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL30443852 0.82 TSHR (0.68) VCAM1MAPTALDH1A1LMNAHPGD
SCHEMBL30525281 0.82 VCAM1 (0.64) VCAM1MAPTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567387-A Method for preparing benzoxazine-4-ketone series compounds by using nitroaromatic hydrocarbon 南京德川医药科技有限公司 2024-02-20 CN claimed
EP-4716685-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-04-01 EP disclosed
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
US-RE50594-E1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-09-23 US disclosed
EP-4615581-A2 FUSED MULTICYCLIC COMPOUNDS AND THEIR USE AS PARP1 INHIBITORS Laekna Pharmaceutical Ningbo Co., Ltd. (CN) 2025-09-17 EP disclosed
CN-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN disclosed
WO-2025054361-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2025-03-13 WO disclosed
CN-119569739-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119569740-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 US disclosed
CN-101065357-A Fused aminopiperidines as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-10-31 CN disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
EP-1819674-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
WO-2006058064-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-06-01 WO disclosed
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 VCAM1 2185/4885MAPT 3521/4885GAA 2555/4885
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 VCAM1 2778/4885MAPT 3208/4885GAA 215/4885
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TLR1, TLR6, TLR8 VCAM1 1228/4885MAPT 4827/4885GAA 3802/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 VCAM1 1503/4885MAPT 1347/4885GAA 504/4885
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide F12, TFPI, F11 VCAM1 517/4885MAPT 2366/4885GAA 1068/4885

“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.