SCHEMBL1928843

SCHEMBL1928843

O=C(NCc1cccnc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ EPHX1 P07099 1/20 0.65
▸ EPHX2 P34913 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.64
▸ HTT P42858 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ CFD P00746 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ RAB9A P51151 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ AURKA O14965 2/20 0.60
▸ NAMPT P43490 1/20 0.60
▸ USP2 O75604 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.59

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
SCHEMBL2984197 0.88 NAMPT (0.72) HTTKMT2ARAB9ALMNANAMPT
SCHEMBL1161997 0.87 NAMPT (0.75) HTTKMT2ALMNANAMPTUSP2
Hydrochloric Acid SCHEMBL6461896 0.84 MMP13 (0.74) SMN1; SMN2EPHX1EPHX2NR1H4HTT
SCHEMBL7082686 0.83 TSHR (0.73) SMN1; SMN2HTTKMT2ARAB9ALMNA
SCHEMBL10094381 0.83 SMN1; SMN2 (0.61) SMN1; SMN2HTTKMT2ACYP1A2CYP3A4
SCHEMBL11626565 0.83 NPC1 (0.81) SMN1; SMN2HTTKMT2ARAB9ALMNA
SCHEMBL12190863 0.83 SCN2A (0.62) SMN1; SMN2HTTKMT2ACYP1A2CYP3A4
SCHEMBL3647370 0.83 ALDH1A1 (0.64) HTTCYP1A2CYP3A4CYP2C19LMNA
SCHEMBL14030202 0.83 L3MBTL1 (0.64) HTTKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL11628250 0.83 NPSR1 (0.67) HTTKMT2ACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 — — EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 — — US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 — — US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 — — EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 — — WO 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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD SMN1; SMN2 860/4885EPHX1 4102/4885EPHX2 4035/4885

“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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