SCHEMBL2607688

SCHEMBL2607688

Cc1ccc(NC(=O)NC(C)(C)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
KIF11 P52732 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CCR6 P51684 1/20 0.47
CNR1 P21554 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPN11 Q06124 1/20 0.45
F7 P08709 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
Daimuron SCHEMBL1860112 0.91 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
Daimuron SCHEMBL65275 0.91 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7904977 0.89 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL18079667 0.88 LMNA (0.53) MAPTALDH1A1LMNACNR1
SCHEMBL13182410 0.87 CNR1 (0.61) SMN1; SMN2CNR1
SCHEMBL8709318 0.81 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16624883 0.80 MAPT (0.63) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL17169483 0.80 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2362106 0.80 ADAMTS4 (0.51) RAB9ANPC1SMN1; SMN2MAPTKIF11
SCHEMBL8606898 0.75 HSD17B10 (0.53) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 RAB9A 1748/4885NPC1 641/4885SMN1; SMN2 4251/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 RAB9A 1748/4885NPC1 641/4885SMN1; SMN2 4251/4885

“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.