SCHEMBL13496985

SCHEMBL13496985

O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cccnc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.80
▸ POLB P06746 7/20 0.80
▸ ALDH1A1 P00352 4/20 0.80
▸ L3MBTL1 Q9Y468 3/20 0.80
▸ LDHA P00338 2/20 0.80
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ HPGD P15428 2/20 0.80
▸ PSMD14 O00487 1/20 0.65
▸ KMT2A Q03164 7/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ PABPC1 P11940 1/20 0.62
▸ KDM4E B2RXH2 4/20 0.61
▸ MAPK1 P28482 1/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ GAA P10253 1/20 0.57
▸ EYA2 O00167 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56

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
SCHEMBL18153643 1.00 MAPT (0.80) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL6721166 0.89 MAPT (1.00) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL6720913 0.81 MAPT (0.75) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL13497070 0.80 MAPT (0.68) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL29264529 0.79 MAPT (1.00) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL30307761 0.79 MAPT (1.00) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL4329432 0.78 PHGDH (0.53) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL4329425 0.78 PHGDH (0.53) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL6721172 0.76 MAPT (0.78) MAPTPOLBALDH1A1L3MBTL1LDHA
SCHEMBL4326641 0.74 MAPT (0.72) MAPTALDH1A1SMN1; SMN2HPGDKMT2A

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-20180126014-A1 COMPOSITIONS FOR ENHANCING DELIVERY OF AGENTS ACROSS THE BLOOD BRAIN BARRIER AND METHODS OF USE THEREOF YALE UNIVERSITY 2018-05-10 — — US disclosed
WO-2016168197-A1 COMPOSITIONS FOR ENHANCING DELIVERY OF AGENTS ACROSS THE BLOOD BRAIN BARRIER AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2016-10-20 — — WO disclosed
US-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — 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-20180126014-A1 COMPOSITIONS FOR ENHANCING DELIVERY OF AGENTS ACROSS THE BLOOD BRAIN BARRIER AND METHODS OF USE THEREOF FABP7, LIPG, CD47 MAPT 822/4885POLB 4619/4885ALDH1A1 2636/4885
US-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF FPR1, FPR2, FPR3 MAPT 4845/4885POLB 4470/4885ALDH1A1 3119/4885

“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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