SCHEMBL20474253

SCHEMBL20474253

Cc1ccc2c(C)c(-c3ccccc3)cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.55
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
METAP2 P50579 1/20 0.43
MET P08581 1/20 0.42
NUDT1 P36639 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 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
SCHEMBL20474189 0.87 ALDH1A1 (0.50) PSMB5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL20799500 0.85 PSMB5 (0.50) PSMB5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL14259492 0.84 PTGES (0.52) PSMB5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11166756 0.82 TLR7 (0.51) PSMB5KDM4EALDH1A1MAPTNPSR1
SCHEMBL28176611 0.80 PSMB5 (0.51) PSMB5KDM4EALDH1A1LMNAMAPT
SCHEMBL757488 0.78 PIK3CA (0.50) PSMB5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL18644116 0.77 PSMB5 (0.55) PSMB5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL20777905 0.76 PSMB5 (0.47) PSMB5KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL862474 0.74 CCR1 (0.54) PSMB5ALDH1A1PDGFRBCHEK1PARP1
SCHEMBL20474245 0.74 PRNP (0.45) PSMB5ALDH1A1L3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227355-B2 Quinoline derivatives and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-12 US disclosed
US-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-08-23 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 (2 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-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF ABL1, FLT3, MAP3K7 PSMB5 2814/4885KDM4E 892/4885ALDH1A1 1992/4885
US-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 PSMB5 2334/4885KDM4E 939/4885ALDH1A1 2096/4885

“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.