SCHEMBL89587

SCHEMBL89587

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(c5ccccc5)CC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.41
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10282924 1.00 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89608 0.98 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89932 0.96 REN (0.42) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89761 0.96 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89712 0.95 REN (0.41) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL90105 0.94 REN (0.42) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89716 0.94 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89211 0.93 REN (0.40) RENMEN1KMT2AALDH1A1NPSR1
SCHEMBL89855 0.92 REN (0.40) RENMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8237645 0.91 REN (0.36) RENMEN1KMT2AALDH1A1NPSR1

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 1/4885MEN1 2336/4885KMT2A 3129/4885

“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.