SCHEMBL798414

SCHEMBL798414

O=c1[nH]ccc2[nH]c3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHEK1 O14757 2/20 0.50
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
PARP1 P09874 4/20 0.48
GPR3 P46089 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 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
SCHEMBL2565892 0.79 PARP1 (0.55) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL7976472 0.77 CHEK1 (0.57) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL4514514 0.76 GABRP (0.55) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL3505223 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL9984239 0.75 METAP2 (0.47) CHEK1CCNE2CDK4CCND1CCNE1
SCHEMBL797858 0.75 KDM4E (0.50) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL1635466 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL29380761 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL23132415 0.73 PARP1 (0.64) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL21384427 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK KGAA (DE) 2022-06-09 US disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-4870180-A 1,2-dihydro-4-methyl-1-oxo-5H-pyrido(4,3-b)indoles and the process for their synthesis SANOFI AND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1989-09-26 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-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 473/4885KDM4E 1889/4885LMNA 3140/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ALDH1A1 4162/4885KDM4E 580/4885LMNA 1865/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 ALDH1A1 68/4885KDM4E 530/4885LMNA 3690/4885

“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.