SCHEMBL5895037

SCHEMBL5895037

OCc1c[nH]c(-c2ccccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALPL P05186 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GPR55 Q9Y2T6 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL23778664 0.81 CXCR2 (0.42) SMN1; SMN2CXCR2GUSBNOTUM
SCHEMBL3698954 0.80 DCUN1D1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1DCUN1D1
SCHEMBL672597 0.77 NOTUM (0.42) NPC1RAB9ACYP1A2ALPLCYP2C9
SCHEMBL26111963 0.75 HPGD (0.53) NPC1RAB9ATP53CYP1A2ALPL
SCHEMBL3701288 0.74 GRK6 (0.43)
SCHEMBL3322110 0.74 MGAM (0.47) NPC1RAB9ATP53CYP1A2ALPL
SCHEMBL23778736 0.74 NOTUM (0.45) NPC1RAB9AALPLHPGDNR1H2
SCHEMBL28775125 0.72 ALPL (0.44) NPC1RAB9ATP53CYP1A2ALPL
SCHEMBL11315347 0.72 PDE5A (0.50) TP53CYP1A2HPGDSMN1; SMN2ALDH1A1
SCHEMBL23778668 0.70 ALDH1A1 (0.42) ALDH1A1TDP1CXCR2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 US disclosed
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 NPC1 75/4885RAB9A 1219/4885TP53 3576/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI NPC1 131/4885RAB9A 1149/4885TP53 3670/4885

“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.