SCHEMBL10177149

SCHEMBL10177149

O=C(Nc1ccc(Br)cc1)C(Oc1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
EPHX1 P07099 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FPR2 P25090 5/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR3 Q99500 3/20 0.40
LMNA P02545 2/20 0.40
HTR1E P28566 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
METAP2 P50579 2/20 0.40
BACE1 P56817 1/20 0.40
METAP1 P53582 1/20 0.40

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
SCHEMBL2610107 0.94 MEN1 (0.42) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL16541183 0.89 EPHX1 (0.43) MEN1KMT2AEPHX1NPC1RAB9A
SCHEMBL9540128 0.84 ALDH1A1 (0.48) MEN1KMT2AEPHX1RAB9AALDH1A1
SCHEMBL381154 0.83 NFKB1 (0.43) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL16541200 0.78 NPSR1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10176508 0.77 KMT2A (0.55) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL2610108 0.76 SLC6A2 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL380312 0.72 MEN1 (0.51) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL10176505 0.68 MEN1 (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11259835 0.67 TSHR (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 MEN1 3561/4885KMT2A 3016/4885EPHX1 41/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885EPHX1 41/4885

“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.