SCHEMBL89989

SCHEMBL89989

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)N[C@@H](COC)C4CCCCC4)C3)C3CC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.60
KCNH2 Q12809 4/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL90311 1.00 REN (0.60) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL90204 0.96 REN (0.63) RENKCNH2ALDH1A1SMN1; SMN2
SCHEMBL90211 0.96 REN (0.63) RENKCNH2ALDH1A1SMN1; SMN2
SCHEMBL89774 0.93 REN (0.59) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL89724 0.93 REN (0.59) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL89766 0.91 REN (0.62) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL89328 0.90 REN (0.65) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL90277 0.90 REN (0.65) RENKCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL89840 0.90 REN (0.55) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90091 0.90 REN (0.62) RENKCNH2ALDH1A1SMN1; SMN2KMT2A

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 2 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-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 1/4885KCNH2 415/4885ALDH1A1 38/4885

“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.