SCHEMBL5457968

SCHEMBL5457968

O=[N+]([O-])c1cnc2c(c1)CSCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MAPT P10636 4/20 0.35
IDO1 P14902 1/20 0.35
KAT2B Q92831 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
CDK2 P24941 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK1 P06493 2/20 0.32

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
SCHEMBL5582661 0.78 CCNA2 (0.46) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL13341660 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL6210831 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL3577632 0.74 ALDH1A1 (0.38) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL6772199 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL6776635 0.73 RXFP1 (0.40) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL3822440 0.73 PNMT (0.56) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL30831356 0.73 PNMT (0.56) ALDH1A1MAPK1HTTMAPTIDO1
SCHEMBL6770966 0.73 TNKS2 (0.41) TNKS2
SCHEMBL5463026 0.72 ALDH1A1 (0.36) ALDH1A1MAPK1HTTMAPTIDO1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-05-29 US disclosed
WO-2025030163-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-02-06 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 US disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 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 (3 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 ALDH1A1 306/4885MAPK1 1542/4885HTT 3645/4885
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 ALDH1A1 1211/4885MAPK1 3098/4885HTT 2747/4885
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE IGF1R, TRHR, TSHR ALDH1A1 1694/4885MAPK1 934/4885HTT 163/4885

“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.