SCHEMBL6505517

SCHEMBL6505517

O=C(NCCC1SC(NC2CCCCCC2)=NC1=O)c1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ACKR3 P25106 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL6390207 0.87 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6393301 0.87 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6394209 0.87 RAB9A (0.43) RAB9AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6505267 0.83 ATM (0.41) RAB9AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6510198 0.83 CXCR4 (0.44) RAB9AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL6392636 0.82 POLB (0.44) RAB9ASMN1; SMN2LMNAHPGDKMT2A
SCHEMBL6387585 0.82 POLB (0.44) RAB9ASMN1; SMN2LMNAHPGDKMT2A
SCHEMBL6387573 0.79 SMN1; SMN2 (0.44) RAB9AGAASMN1; SMN2HPGDPOLB
SCHEMBL6504984 0.79 SMN1; SMN2 (0.44) RAB9AGAASMN1; SMN2HPGDPOLB
SCHEMBL6388874 0.79 SMN1; SMN2 (0.44) RAB9AGAASMN1; SMN2HPGDPOLB

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 RAB9A 2649/4885ALDH1A1 67/4885KDM4E 2824/4885

“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.