SCHEMBL5539758

SCHEMBL5539758

COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.64
MAPT P10636 5/20 0.61
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ATM Q13315 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HDAC1 Q13547 4/20 0.54
BRAF P15056 1/20 0.54
HDAC8 Q9BY41 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL2721899 0.89 MAPT (0.61) ABL1MAPTKDM4EALDH1A1HPGD
SCHEMBL11169676 0.86 ALDH1A1 (0.65) ABL1MAPTKDM4EALDH1A1HPGD
SCHEMBL11689106 0.85 ABL1 (0.53) ABL1MAPTKDM4EALDH1A1HPGD
SCHEMBL11778498 0.85 PRSS12 (0.54) MAPTKDM4EMEN1KMT2AHDAC1
SCHEMBL16099493 0.84 PTPN1 (0.63) MAPTKDM4EALDH1A1HPGDGLA
SCHEMBL538401 0.83 ALDH1A1 (0.65) ABL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6813395 0.82 HDAC8 (0.64) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL11688476 0.82 PGR (0.58) MAPTKDM4EALDH1A1HPGDGLA
SCHEMBL28339146 0.81 KMT2A (0.56) MAPTKDM4EMEN1KMT2AHDAC1
SCHEMBL2894921 0.81 ABL1 (0.59) ABL1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 ABL1 4559/4885MAPT 1060/4885KDM4E 3685/4885

“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.