SCHEMBL1250299

SCHEMBL1250299

CC(C)(C)c1ccc(-c2nc3ccc(C(=O)Nc4cccc(Cl)c4)cc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.67
CHEK2 O96017 3/20 0.60
KDR P35968 2/20 0.57
PRSS12 P56730 1/20 0.56
DGAT1 O75907 3/20 0.56
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
NR2E3 Q9Y5X4 2/20 0.55
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP13 P45452 3/20 0.54

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
SCHEMBL1249179 0.90 CHEK2 (0.70) HDAC6CHEK2KDRPRSS12DGAT1
SCHEMBL1250180 0.88 CHEK2 (0.66) HDAC6CHEK2KDRPRSS12DGAT1
SCHEMBL1250057 0.87 ATM (0.66) CHEK2KDRPRSS12DGAT1KDM4E
SCHEMBL1249034 0.87 KDM4E (0.71) CHEK2KDRPRSS12DGAT1KDM4E
SCHEMBL1249315 0.87 MEN1 (0.66) HDAC6CHEK2KDRPRSS12DGAT1
SCHEMBL1250932 0.84 CHEK2 (0.57) HDAC6CHEK2KDRPRSS12DGAT1
SCHEMBL1251640 0.82 DGAT1 (0.79) HDAC6CHEK2KDRDGAT1NPC1
SCHEMBL1250909 0.82 DGAT1 (0.77) HDAC6CHEK2KDRDGAT1KDM4E
SCHEMBL1249424 0.81 DGAT1 (0.82) HDAC6CHEK2KDRDGAT1KDM4E
SCHEMBL18229534 0.81 HDAC6 (1.00) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 US disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 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 (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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 HDAC6 1155/4885CHEK2 4427/4885KDR 4765/4885

“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.