SCHEMBL89956

SCHEMBL89956

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC(C)(C)C#N)C3)C3CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.53
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL8235471 0.93 REN (0.56) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL90208 0.93 REN (0.56) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL89322 0.91 REN (0.54) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8238346 0.91 REN (0.54) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL89253 0.91 REN (0.54) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL89923 0.90 REN (0.54) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL89616 0.89 REN (0.53) RENCYP1A2CYP2C9CYP2C19TDP1
SCHEMBL90582 0.89 REN (0.53) RENKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL89256 0.88 REN (0.58) RENCYP1A2CYP2C9CYP2C19TDP1
SCHEMBL89798 0.88 REN (0.42) RENKMT2ACYP1A2CYP2C9CYP2C19

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885KMT2A 3129/4885CYP1A2 239/4885

“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.