SCHEMBL2545579

SCHEMBL2545579

CSc1ccc(CNc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
MAPT P10636 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RECQL P46063 1/20 0.50
QPCT Q16769 7/20 0.46
IP6K1 Q92551 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
QPCTL Q9NXS2 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2538614 0.85 NPC1 (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2583769 0.83 QPCT (0.43) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2540200 0.82 RAB9A (0.54) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2538625 0.82 IP6K1 (0.63) RAB9ACYP1A2MAPTCYP2D6MEN1
SCHEMBL2543317 0.82 KMT2A (0.58) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2546606 0.82 MAPT (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL22900298 0.79 MAPT (0.48) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2542921 0.78 ABL1 (0.41) RAB9ANPC1CYP1A2MAPTQPCT
SCHEMBL2546746 0.77 NTRK1 (0.47) QPCTIP6K1SMN1; SMN2HTT
SCHEMBL1976000 0.76 QPCT (0.45) MAPTRECQLQPCTTSHRQPCTL

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
EP-2560953-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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 (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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS RAB9A 2737/4885NPC1 4532/4885CYP1A2 2025/4885

“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.