SCHEMBL20499799

SCHEMBL20499799

Nc1ccc(Oc2ccc(NCN(CN(CO)c3ccc(Oc4ccc(N)cc4)cc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
MAOA P21397 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 4/20 0.34
GFER P55789 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TEAD4 Q15561 1/20 0.34
PSMD14 O00487 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34

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
Bromide SCHEMBL20499802 0.89 F13A1 (0.33) F13A1TGM2ALDH1A1TDP1CYP3A4
SCHEMBL20506766 0.87 MEN1 (0.42) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL17634991 0.84 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL21707451 0.82 MEN1 (0.37) ALDH1A1HPGDGAAMAPTL3MBTL1
SCHEMBL20506762 0.79 ALDH1A1 (0.33) ALDH1A1GAAMAPTL3MBTL1MEN1
SCHEMBL20527882 0.78
SCHEMBL21707381 0.77 SMN1; SMN2 (0.37) ALDH1A1MAOACYP2D6HPGDGAA
SCHEMBL19002876 0.76 MAPT (0.42) ALDH1A1TDP1TSHRHPGDCYP2C19
SCHEMBL17343555 0.76 MAPT (0.42) ALDH1A1TDP1TSHRMAOAHPGD
SCHEMBL17348254 0.76 CNR2 (0.33) ALDH1A1CYP3A4HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316161-B2 Method of making highly porous polyhexahydrotriazines containing antimicrobial agents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-06-11 US disclosed
US-20180265664-A1 METHOD OF MAKING HIGHLY POROUS POLYHEXAHYDROTRIAZINES CONTAINING ANTIMICROBIAL AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-09-20 US disclosed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 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-20180265664-A1 METHOD OF MAKING HIGHLY POROUS POLYHEXAHYDROTRIAZINES CONTAINING ANTIMICROBIAL AGENTS PFAS, PUF60, PARG F13A1 401/4885TGM2 3850/4885ALDH1A1 2353/4885
US-10316161-B2 Method of making highly porous polyhexahydrotriazines containing antimicrobial agents PFAS, PUF60, PARG F13A1 401/4885TGM2 3850/4885ALDH1A1 2353/4885

“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.