SCHEMBL6506450

SCHEMBL6506450

O=C(NCC1SC(NC2CCCCCCC2)=NC1=O)c1cccc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
P2RX7 Q99572 6/20 0.38
TDP1 Q9NUW8 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
IL1B P01584 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGES O14684 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6428643 0.86 NPC1 (0.45) CHRM1HPGDRAB9ANPC1P2RX7
SCHEMBL6390194 0.86 NPC1 (0.45) CHRM1HPGDRAB9ANPC1P2RX7
SCHEMBL6394209 0.80 RAB9A (0.43) HPGDRAB9ANPC1P2RX7TDP1
SCHEMBL6393301 0.80 RAB9A (0.43) HPGDRAB9ANPC1P2RX7TDP1
SCHEMBL6390207 0.80 RAB9A (0.43) HPGDRAB9ANPC1P2RX7TDP1
SCHEMBL6504984 0.77 SMN1; SMN2 (0.44) HPGDRAB9ANPC1P2RX7
SCHEMBL6388874 0.77 SMN1; SMN2 (0.44) HPGDRAB9ANPC1P2RX7
SCHEMBL6387573 0.77 SMN1; SMN2 (0.44) HPGDRAB9ANPC1P2RX7
SCHEMBL6505267 0.77 ATM (0.41) RAB9ANPC1ATM
SCHEMBL6426489 0.76 P2RX7 (0.43) RAB9ANPC1P2RX7ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 CHRM1 532/4885HPGD 66/4885RAB9A 2649/4885

“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.