SCHEMBL1312917

SCHEMBL1312917

CC(C)Nc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.74
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HTT P42858 2/20 0.54
NPC1 O15118 5/20 0.52
ALDH1A1 P00352 7/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
HPGD P15428 2/20 0.48

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
SCHEMBL5011050 0.90 RAB9A (0.67) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL10137686 0.84 RAB9A (0.74) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL396078 0.83 NPSR1 (0.62) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL30822851 0.82 RAB9A (0.71) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL312910 0.81 TDP1 (0.81) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL20442339 0.81 RAB9A (0.78) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL27337757 0.80 KMT2A (0.69) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL27471805 0.80 RAB9A (0.76) RAB9AKMT2ATDP1SLC6A2SLC6A3
SCHEMBL30444042 0.79 RAB9A (0.59) RAB9AKMT2AHTTNPC1ALDH1A1
SCHEMBL13831592 0.79 RAB9A (0.59) RAB9AKMT2AHTTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243727-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-20130243727-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-8450350-B2 Triazoles as inhibitors of fatty acid synthase INFINITY PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450350-B2 Triazoles as inhibitors of fatty acid synthase INFINITY PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
WO-2011140296-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE Infinity Pharmaceuticals (US) 2011-11-10 WO disclosed
US-20110274654-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS INC. 2011-11-10 US disclosed
US-20110274654-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS INC. 2011-11-10 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 (2 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-20130243727-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, SCD, FADS1 RAB9A 2813/4885KMT2A 3529/4885TDP1 2863/4885
US-20110274654-A1 TRIAZOLES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, SCD, FADS1 RAB9A 2813/4885KMT2A 3529/4885TDP1 2863/4885

“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.