SCHEMBL2857192

SCHEMBL2857192

COc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.53
MAPT P10636 10/20 0.49
LMNA P02545 6/20 0.49
ALDH1A1 P00352 5/20 0.49
RGS12 O14924 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HTT P42858 5/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
ALOX5 P09917 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BRAF P15056 1/20 0.44
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PABPC1 P11940 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
SCHEMBL2853892 0.91 BRAF (0.44) SETD7MAPTLMNAALDH1A1RGS12
SCHEMBL2197247 0.88 SETD7 (0.57) SETD7MAPTLMNAALDH1A1HTT
SCHEMBL2855650 0.88 MEN1 (0.52) SETD7MAPTLMNAALDH1A1MEN1
SCHEMBL2851245 0.87 FFAR1 (0.51) MAPTLMNAALDH1A1RGS12APOBEC3A
SCHEMBL2853948 0.83 BRAF (0.58) SETD7MAPTLMNAALDH1A1RGS12
SCHEMBL2858573 0.81 MAPT (0.48) MAPTLMNAALDH1A1RGS12APOBEC3A
SCHEMBL2194097 0.79 CRHBP (0.52) SETD7MAPTLMNAALDH1A1HTT
SCHEMBL2857381 0.79 BRAF (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2191722 0.78 RAB9A (0.55) SETD7MAPTLMNAALDH1A1MEN1
SCHEMBL2853472 0.78 RAB9A (0.47) SETD7MAPTLMNAALDH1A1MEN1

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 SETD7 727/4885MAPT 4439/4885LMNA 4482/4885

“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.