Sugi Predict

Sugi Predict / Compounds / SCHEMBL1103767

SCHEMBL1103767

SCHEMBL1103767

CC(C)(C)CCN(Cc1ccc(CN(CCC(C)(C)C)C(=N)NC(=N)Nc2ccccc2)cc1)C(=N)NC(=N)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC6 Q9UBN7 7/20 0.37
▸ HDAC1 Q13547 6/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL1103758 0.88 MEN1 (0.40) ALDH1A1NPSR1POLBLMNACYP1A2
SCHEMBL1176293 0.83 HDAC6 (0.54) ALDH1A1NPSR1HDAC6HDAC1HDAC3
SCHEMBL1108183 0.82 CNR2 (0.40) ALDH1A1HDAC6HDAC1HDAC3HDAC2
SCHEMBL13953641 0.79 CNR2 (0.39) ALDH1A1NPSR1HDAC6HDAC1HDAC3
SCHEMBL1170264 0.78 NPC1 (0.45) ALDH1A1POLBLMNACYP1A2CYP2C19
SCHEMBL13523178 0.78 NPC1 (0.45) ALDH1A1POLBLMNACYP1A2CYP2C19
SCHEMBL13521670 0.77 KMT2A (0.36) ALDH1A1POLBLMNAGAAL3MBTL1
SCHEMBL8963242 0.74 CNR2 (0.39) ALDH1A1HDAC6HDAC1HDAC3HDAC2
SCHEMBL14706107 0.73 MEN1 (0.36) ALDH1A1NPSR1POLBLMNACYP1A2
SCHEMBL10083469 0.72 HDAC6 (0.43) ALDH1A1HDAC6HDAC1HDAC3HDAC2

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
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 — — US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 — — US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — 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-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC ALDH1A1 2132/4885NPSR1 4133/4885HDAC6 932/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 ALDH1A1 209/4885NPSR1 3005/4885HDAC6 1072/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS ALDH1A1 980/4885NPSR1 3144/4885HDAC6 2676/4885

“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.