SCHEMBL2903718

SCHEMBL2903718

CN(C)CCCN1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL2905688 0.95 ALDH1A1 (0.42) POLBALDH1A1HPGDNPSR1LMNA
SCHEMBL2903462 0.90 BDKRB1 (0.45) ALDH1A1HPGDNPSR1LMNASMN1; SMN2
SCHEMBL3749390 0.89 BDKRB1 (0.44) ALDH1A1HPGDNPSR1LMNASMN1; SMN2
SCHEMBL3751486 0.87 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1LMNASMN1; SMN2
SCHEMBL3280590 0.86 BDKRB1 (0.53) POLBALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3277917 0.85 CACNA1B (0.55) POLBTDP1
SCHEMBL2905567 0.82 USP30 (0.42) ALDH1A1HPGDNPSR1SMN1; SMN2MEN1
SCHEMBL2905310 0.81 ALDH1A1 (0.40) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL2903723 0.81 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3273962 0.81 BDKRB1 (0.50) POLBALDH1A1HPGDSMN1; SMN2MEN1

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP claimed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 WO claimed

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 POLB 2196/4885ALDH1A1 4439/4885HPGD 498/4885

“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.