SCHEMBL6502145

SCHEMBL6502145

O=C(NCCC1SC(NC2CCCCCC2)=NC1=O)Nc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CASR P41180 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6502232 0.89 KMT2A (0.50) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6506411 0.86 SMN1; SMN2 (0.44) TAS1R3TAS1R1SMN1; SMN2TSHRNPSR1
SCHEMBL6506236 0.85 LMNA (0.43) KMT2AALDH1A1KDM4EMEN1
SCHEMBL6393301 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6390207 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6394209 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6426518 0.84 NPC1 (0.48) NPC1RAB9ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL6505116 0.83 S1PR2 (0.39) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6509241 0.82 KMT2A (0.36) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL6499488 0.81 KMT2A (0.56) KMT2AALDH1A1TSHRMEN1CYP2C19

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 NPC1 277/4885RAB9A 2649/4885TAS1R3 4345/4885

“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.