SCHEMBL5530375

SCHEMBL5530375

C=C(C)c1cccc(C(C)(C)NC(N)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 2/20 0.62
HTT P42858 2/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.57

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
Carbamic Acid SCHEMBL28548246 0.88 L3MBTL1 (0.61) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL8930633 0.88 L3MBTL1 (0.67) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL2512343 0.86 L3MBTL1 (0.65) L3MBTL1TSHRHTTMAPTLMNA
Ethylene SCHEMBL27874359 0.85 L3MBTL1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL12227212 0.85 L3MBTL1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL28914785 0.85 L3MBTL1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL12227200 0.85 L3MBTL1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL12227206 0.85 MAPT (0.66) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL30080354 0.85 L3MBTL1 (0.64) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL13009640 0.84 L3MBTL1 (0.62) L3MBTL1TSHRHTTMAPTLMNA

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
WO-2020112605-A1 COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2020-06-04 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 L3MBTL1 3309/4885TSHR 271/4885HTT 583/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 L3MBTL1 3949/4885TSHR 156/4885HTT 500/4885

“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.