SCHEMBL3633500

SCHEMBL3633500

S=C(Nc1ccc2[nH]cnc2c1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 7/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
NSD2 O96028 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 3/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4D Q6B0I6 1/20 0.49

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
SCHEMBL3634490 0.99 KDM4E (0.63) KDM4EKMT2AGAAALDH1A1MAPT
SCHEMBL3633562 0.87 KDM4E (0.65) KDM4EKMT2AGAAALDH1A1MAPT
SCHEMBL3632753 0.81 MAPT (0.53) KDM4EKMT2AALDH1A1MAPTLMNA
SCHEMBL25430141 0.76 TERT (0.62) KDM4EKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL31150469 0.76 TERT (0.62) KDM4EKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3667914 0.73 QPCT (0.58) KDM4EGAANPC1RAB9A
SCHEMBL3667256 0.73 QPCT (0.47) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3630011 0.71 QPCT (0.80) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3634735 0.71 QPCT (0.80) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1855879 0.71 HPGD (0.61) KDM4EKMT2AALDH1A1MAPTSMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US claimed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP claimed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP claimed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US claimed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 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 (1 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT KDM4E 2520/4885KMT2A 2652/4885GAA 113/4885

“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.