SCHEMBL468781

SCHEMBL468781

O=C1N=CC(=O)c2c1[nH]c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 3/20 0.41
PARP1 P09874 2/20 0.41
GPR3 P46089 2/20 0.41
HSD17B10 Q99714 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41

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
SCHEMBL29386723 1.00 KDM4E (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3055898 0.76 KDM4E (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7412080 0.76 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7726806 0.73 CDC25A (0.51) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21561768 0.70 ALDH1A1 (0.56) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6326783 0.69 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11602909 0.66 CDK4 (0.61) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31060923 0.65 PTPRC (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL577974 0.64 KDM4E (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Benzocarbazoledione SCHEMBL22541347 0.64 MAOA (0.54) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576548-A1 THE USE OF sGC STIMULATORS, sGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF SYSTEMIC SCLEROSIS (SSc). Bayer Intellectual Property GmbH (DE) 2013-04-10 EP claimed
EP-2170880-B1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF TETRACYCLIC COMPOUNDS RANBAXY LAB LTD (IN) 2012-08-15 EP claimed
WO-2011147810-A1 THE USE OF sGC STIMULATORS, sGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF SYSTEMIC SCLEROSIS (SSc). BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 WO claimed
EP-2170880-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF TETRACYCLIC COMPOUNDS Ranbaxy Laboratories Limited (IN) 2010-04-07 EP claimed
WO-2009004557-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF TETRACYCLIC COMPOUNDS RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 WO claimed
EP-1363628-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2003-11-26 EP claimed
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 US claimed
WO-2002011706-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2002-02-14 WO claimed
EP-4065119-B1 INITIAL TRIPLE COMBINATION THERAPY WITH MACITENTAN, TADALAFIL, AND SELEXIPAG FOR TREATING PULMONARY ARTERIAL HYPERTENSION ACTELION PHARMACEUTICALS LTD (CH) 2024-09-04 EP disclosed
EP-4313151-A1 SOS1 INHIBITORS AND RAS INHIBITORS FOR USE IN THE TREATMENT OF PAIN Sevenless Therapeutics Limited (GB) 2024-02-07 EP disclosed
US-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-12-05 US disclosed
EP-4121064-A1 SULFATED GLYCOSAMINOGLYCAN BIOMATERIALS AS PROTEOGLYCAN MIMICS Glycologix, Inc. (US) 2023-01-25 EP disclosed
WO-2022216294-A1 POWDER FOR ORAL SUSPENSION CONTAINING TADALAFIL AUSON PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed
WO-2022207673-A1 SOS1 INHIBITORS AND RAS INHIBITORS FOR USE IN THE TREATMENT OF PAIN SEVENLESS THERAPEUTICS LIMITED (GB) 2022-10-06 WO disclosed
WO-2002030470-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY JOHNS HOPKINS UNIVERSITY (US) 2002-04-18 WO disclosed
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 US disclosed
WO-2002011706-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2002-02-14 WO disclosed
WO-2002011707-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2002-02-14 WO disclosed
EP-1113800-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2001-07-11 EP disclosed
WO-2000015228-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2000-03-23 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 (2 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-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels TRPV1, TRPA1, SCN2B KDM4E 2978/4885ALDH1A1 1562/4885LMNA 3179/4885
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 KDM4E 1370/4885ALDH1A1 1323/4885LMNA 370/4885

“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.