SCHEMBL6503516

SCHEMBL6503516

Nc1ccnc(CCN(C=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.37
OPRD1 P41143 1/20 0.33
EGFR P00533 1/20 0.32
CYP3A4 P08684 5/20 0.32
CYP1A2 P05177 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP2D6 P10635 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 3/20 0.32
ALOX15 P16050 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
ROCK1 Q13464 1/20 0.31
LMNA P02545 1/20 0.31
SREBF2 Q12772 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6227384 0.81 CYP1A2 (0.49) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6793045 0.79 CCNC (0.41) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL6503514 0.79 HRH1 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6678971 0.79 TP53 (0.39) ASIC3OPRD1CYP3A4CYP1A2CYP2C9
SCHEMBL6792689 0.75 OPRD1 (0.36) ASIC3OPRD1EGFRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6793030 0.71 ASIC3 (0.34) ASIC3OPRD1
SCHEMBL22658428 0.71 ASIC3 (0.35) ASIC3CYP3A4KDM4ETSHRLMNA
SCHEMBL6227307 0.70 NPSR1 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6487394 0.70 F2 (0.46) OPRD1CYP3A4CYP2C9CYP2C19KDM4E
Aniline SCHEMBL11231186 0.70 ALDH1A1 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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 (3 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ASIC3 3567/4885OPRD1 288/4885EGFR 2619/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR ASIC3 3641/4885OPRD1 943/4885EGFR 851/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ASIC3 4702/4885OPRD1 1448/4885EGFR 1143/4885

“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.