SCHEMBL12335447

SCHEMBL12335447

O=C(NCc1cccnc1)Nc1ccc(COc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.62
▸ POLB P06746 1/20 0.59
▸ CYP2C9 P11712 1/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CYP11B1 P15538 1/20 0.57
▸ CYP11B2 P19099 1/20 0.57

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
SCHEMBL12334608 0.97 POLB (0.60) NAMPTPOLBCYP2C9MEN1KMT2A
SCHEMBL12334597 0.95 NAMPT (0.58) NAMPTPOLBCYP2C9MEN1KMT2A
SCHEMBL12334881 0.94 NAMPT (0.57) NAMPTPOLBCYP2C9MEN1KMT2A
SCHEMBL12336078 0.93 NAMPT (0.61) NAMPTPOLBMEN1KMT2ACYP11B1
SCHEMBL12335344 0.93 NAMPT (0.61) NAMPTPOLBCYP2C9MEN1KMT2A
SCHEMBL12335401 0.92 LMNA (0.58) NAMPTPOLBKMT2ACYP11B1CYP11B2
SCHEMBL12336103 0.91 NAMPT (0.55) NAMPTPOLBCYP2C9MEN1KMT2A
SCHEMBL12335423 0.91 SGMS2 (0.57) NAMPTPOLBMEN1KMT2ACYP11B1
SCHEMBL12335350 0.91 NAMPT (0.57) NAMPTPOLBCYP11B1CYP11B2
SCHEMBL12335322 0.91 CYP11B1 (0.63) NAMPTPOLBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — 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 (2 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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS NAMPT, NAPRT, NNT NAMPT 1/4885POLB 1318/4885CYP2C9 4337/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NAMPT 596/4885POLB 4109/4885CYP2C9 4352/4885

“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.

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