SCHEMBL3989050

SCHEMBL3989050

Cc1cc(=O)[nH]c(CCl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
HTT P42858 2/20 1.00
MAPK1 P28482 2/20 0.49
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC11A2 P49281 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.44
GPR84 Q9NQS5 1/20 0.41
RECQL P46063 1/20 0.41
ALPL P05186 1/20 0.41
KMT2A Q03164 1/20 0.41
PDCD1LG2 Q9BQ51 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
SCHEMBL732744 0.82 SMN1; SMN2 (0.69) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL29028572 0.80 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL30741340 0.80 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL1892022 0.80 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL14540108 0.77 HTT (0.62) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL18614441 0.77 SMN1; SMN2 (0.62) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL1888960 0.76 GPR84 (0.61) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL29450817 0.74 HTT (0.59) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL5935814 0.74 MAPK1 (0.62) SMN1; SMN2HTTMAPK1GAAKDM4E
SCHEMBL27427374 0.74 HTT (0.59) SMN1; SMN2HTTMAPK1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885HTT 4504/4885MAPK1 1445/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885HTT 4504/4885MAPK1 1445/4885

“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.