SCHEMBL952028

SCHEMBL952028

O=C(NCc1ccccc1)c1n[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
RAB9A P51151 4/20 0.77
NPC1 O15118 3/20 0.77
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 4/20 0.69
MAPK10 P53779 1/20 0.69
HSD17B10 Q99714 1/20 0.69
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CCNA2 P20248 1/20 0.64
CDK2 P24941 1/20 0.64
FLT3 P36888 1/20 0.64
CCNA1 P78396 1/20 0.64
YTHDC1 Q96MU7 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
IDO1 P14902 1/20 0.61
SIRT1 Q96EB6 1/20 0.59
ITK Q08881 3/20 0.57
HAO1 Q9UJM8 1/20 0.56

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
SCHEMBL952273 0.90 KDM4E (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL8373049 0.89 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL951202 0.89 FLT3 (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL950058 0.87 RAB9A (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL954666 0.86 KDM4E (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL7846799 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL5945685 0.85 RAB9A (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL26715333 0.84 RAB9A (0.83) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL20267080 0.84 RAB9A (0.75) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL950894 0.82 NPC1 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E

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
WO-2024109642-A1 USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR 常州大学 2024-05-30 WO disclosed
CN-117229217-A Allosteric modulator of adrenergic receptor functional activity, preparation method and application thereof 常州大学 2023-12-15 CN disclosed
US-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-02-17 US disclosed
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 WO 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 SMN1; SMN2 2680/4885RAB9A 2782/4885NPC1 551/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 SMN1; SMN2 2680/4885RAB9A 2782/4885NPC1 551/4885
US-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders BRS3, GPR3, GABRA3 SMN1; SMN2 3558/4885RAB9A 840/4885NPC1 742/4885

“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.