SCHEMBL17452409

SCHEMBL17452409

Cc1ccc(/C=N/NC(=O)Nc2ccc(C)cc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL15897535 0.92 POLB (0.50) POLBMEN1KMT2AGAAALOX12
SCHEMBL5180943 0.92 POLB (0.52) POLBMEN1KMT2AGAAALOX12
SCHEMBL5180947 0.92 POLB (0.52) POLBMEN1KMT2AGAAALOX12
SCHEMBL17452430 0.86 RRM1 (0.58) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL5180335 0.86 MAPT (0.58) MEN1KMT2AGAANPSR1NPC1
SCHEMBL5180324 0.86 MAPT (0.58) MEN1KMT2AGAANPSR1NPC1
SCHEMBL5180795 0.84 GFER (0.64) POLBGAANPSR1RAB9AMAPT
SCHEMBL5180504 0.84 GFER (0.64) POLBGAANPSR1RAB9AMAPT
SCHEMBL17452410 0.84 NPC1 (0.50) NPC1RAB9AMAPTPKM
SCHEMBL5180097 0.83 MAPT (0.52) POLBKMT2AALOX12NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 — — 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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 POLB 1959/4885MEN1 4291/4885KMT2A 4471/4885

“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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