SCHEMBL9906642

SCHEMBL9906642

CCC(C)C(CN1CCCC1CO)NC(C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
UGT1A1 P22309 1/20 0.35
GBA1 P04062 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
UGCG Q16739 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9906644 0.85 KMT2A (0.44) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL9906632 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL9909027 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1RECQL
SCHEMBL9906652 0.76 ALDH1A1 (0.37) MEN1KMT2AALDH1A1RECQLGBA1
SCHEMBL9906634 0.75 SPHK1 (0.37) MEN1KMT2AALDH1A1RECQL
SCHEMBL9906627 0.72 HTR6 (0.38) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL9906650 0.68 TDP1 (0.39) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL9906695 0.65 TDP1 (0.38) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL10601741 0.65 DPP4 (0.39) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL12865047 0.65 MEN1 (0.55) MEN1KMT2AALDH1A1RECQLGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 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 (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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT MEN1 952/4885KMT2A 2342/4885ALDH1A1 1264/4885

“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.