SCHEMBL17453758

SCHEMBL17453758

C/C(=N\NC(=O)Nc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.68
▸ FAAH O00519 5/20 0.63
▸ MGLL Q99685 4/20 0.63
▸ BCHE P06276 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 3/20 0.55
▸ RAB9A P51151 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.53
▸ GAA P10253 1/20 0.52

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
SCHEMBL15897789 0.88 BCHE (0.74) MAPTFAAHMGLLBCHETP53
SCHEMBL17452431 0.82 MAPT (0.58) MAPTFAAHMGLLBCHESMN1; SMN2
SCHEMBL17452422 0.81 GAA (0.57) MAPTBCHESMN1; SMN2POLBRAB9A
SCHEMBL27178213 0.80 SMN1; SMN2 (0.74) MAPTSMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL27178325 0.80 SMN1; SMN2 (0.74) MAPTSMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL27178327 0.80 SMN1; SMN2 (0.74) MAPTSMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL27178219 0.80 SMN1; SMN2 (0.74) MAPTSMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL13941421 0.78 PLK4 (0.52) MAPTFAAHMGLLBCHERAB9A
SCHEMBL15849842 0.78 MAPT (0.56) MAPTFAAHMGLLSMN1; SMN2POLB
SCHEMBL28874997 0.77 MEN1 (0.57) MAPTSMN1; SMN2POLBRAB9AL3MBTL1

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-10730848-B2 Protective molecules against anthrax toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 — — US disclosed
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 (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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 MAPT 4617/4885FAAH 1215/4885MGLL 2351/4885
US-10730848-B2 Protective molecules against anthrax toxin ANTXR2, TSG101, ANXA1 MAPT 4617/4885FAAH 1215/4885MGLL 2351/4885

“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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