SCHEMBL16624883

SCHEMBL16624883

C=C(C)c1ccc(C(C)(C)NC(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 1/20 0.56
TSHR P16473 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7904977 0.89 RAB9A (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2607660 0.85 MAPT (0.82) MAPTLMNAALDH1A1TSHRMEN1
Daimuron SCHEMBL1860112 0.82 NPC1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
Daimuron SCHEMBL65275 0.82 NPC1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2607688 0.80 RAB9A (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9120395 0.80 TSHR (0.52) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL15597426 0.78 MAPT (0.82) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL15597389 0.78 MAPT (1.00) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL2607504 0.77 MAPT (0.73) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL14357578 0.77 MAPT (0.84) MAPTLMNAALDH1A1TSHRMEN1

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 1 patent. 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

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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885LMNA 3978/4885ALDH1A1 45/4885

“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.