SCHEMBL1103758

SCHEMBL1103758

CC(C)(C)CCN(Cc1ccc(CN(CCC(C)(C)C)C(=N)NC(=N)Nc2ccc(Cl)cc2)cc1)C(=N)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
LSS P48449 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CCR1 P32246 2/20 0.36
ROCK2 O75116 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR1 P21554 1/20 0.34
RORC P51449 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 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
SCHEMBL1108183 0.93 CNR2 (0.40) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL13953641 0.90 CNR2 (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1170264 0.89 NPC1 (0.45) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL13523178 0.89 NPC1 (0.45) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL13521670 0.88 KMT2A (0.36) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1103767 0.88 ALDH1A1 (0.41) POLBALDH1A1LMNAGAAL3MBTL1
SCHEMBL8963242 0.86 CNR2 (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL14706107 0.85 MEN1 (0.36) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1171548 0.84 CNR2 (0.45) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL13521679 0.84 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 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-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 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 (6 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 MEN1 1137/4885KMT2A 2271/4885SMN1; SMN2 437/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 MEN1 1095/4885KMT2A 2804/4885SMN1; SMN2 2897/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD MEN1 1262/4885KMT2A 855/4885SMN1; SMN2 1523/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP MEN1 766/4885KMT2A 2077/4885SMN1; SMN2 1707/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS MEN1 974/4885KMT2A 1243/4885SMN1; SMN2 1411/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 MEN1 2064/4885KMT2A 1766/4885SMN1; SMN2 2265/4885

“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.