SCHEMBL5865022

SCHEMBL5865022

O=C(O)c1cc([N+](=O)[O-])cc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
IGFBP3 P17936 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MCL1 Q07820 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.37
SRD5A2 P31213 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL11736266 0.87 ALOX15 (0.52) ALDH1A1IGFBP3CA1CA2TDP1
SCHEMBL7142876 0.84 CYP3A4 (0.50) ALDH1A1TSHRCYP3A4SMN1; SMN2CYP19A1
SCHEMBL220662 0.80 CYP19A1 (0.50) ALDH1A1TDP1ALOX15TSHRHIF1A
SCHEMBL21645386 0.80 HTT (0.42) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL23113448 0.79 MEN1 (0.42) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL1797796 0.79 ALDH1A1 (0.49) ALDH1A1IGFBP3CA1CA2TDP1
SCHEMBL30380635 0.79 ALDH1A1 (0.44) ALDH1A1IGFBP3CA1CA2TDP1
SCHEMBL18839539 0.79 ALDH1A1 (0.44) ALDH1A1IGFBP3CA1CA2TDP1
SCHEMBL31746020 0.77 NR3C2 (0.37) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
Ammonia Solution, Strong SCHEMBL28007719 0.77 CYP19A1 (0.46) ALDH1A1TDP1ALOX15TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509451-B2 Heteroaryl amide inhibitors of CD38 NAPA THERAPEUTICS LIMITED (IM) 2025-12-30 US disclosed
US-20250382292-A1 COMPOUNDS FOR TREATING LIGHT CHAIN AMYLOIDOSIS PROTEGO BIOPHARMA INC (US) 2025-12-18 US disclosed
US-20230382901-A1 HETEROARYL AMIDE INHIBITORS OF CD38 NAPA THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
US-20230382901-A1 HETEROARYL AMIDE INHIBITORS OF CD38 NAPA THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
CN-116710090-A Heteroaryl amide inhibitors of CD38 NAPA医疗有限公司 2023-09-05 CN disclosed
EP-4225310-A1 HETEROARYL AMIDE INHIBITORS OF CD38 Napa Therapeutics Ltd. (VG) 2023-08-16 EP disclosed
WO-2022077034-A1 HETEROARYL AMIDE INHIBITORS OF CD38 NAPA THERAPEUTICS LTD. (VG) 2022-04-14 WO 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
CN-100516061-C Pyridine derivatives as NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2009-07-22 CN disclosed
CN-1837195-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2006-09-27 CN 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 ALDH1A1 832/4885IGFBP3 4357/4885CA1 1497/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C ALDH1A1 832/4885IGFBP3 4357/4885CA1 1497/4885
US-20230382901-A1 HETEROARYL AMIDE INHIBITORS OF CD38 CD38, CD22, PARP12 ALDH1A1 386/4885IGFBP3 4435/4885CA1 2559/4885
US-20030119870-A1 Pyridine substituted isoquinoline derivatives GRIN1, GRIN2C, GRIN2A ALDH1A1 1287/4885IGFBP3 3781/4885CA1 1690/4885
US-12509451-B2 Heteroaryl amide inhibitors of CD38 CD38, FCGRT, BCL6 ALDH1A1 215/4885IGFBP3 2067/4885CA1 501/4885
US-20250382292-A1 COMPOUNDS FOR TREATING LIGHT CHAIN AMYLOIDOSIS TTR, CRYAA, BCL6 ALDH1A1 925/4885IGFBP3 4008/4885CA1 3979/4885

“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.