SCHEMBL407716

SCHEMBL407716

N#Cc1cccc(NCC(O)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
EGLN2 Q96KS0 1/20 0.45
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GRK2 P25098 2/20 0.43
IDH2 P48735 3/20 0.41
NOS1 P29475 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL28956694 1.00 ALDH1A1 (0.45) ALDH1A1MAPTEGLN2KMT2AIDO1
SCHEMBL28242073 0.83 LMNA (0.48) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL8316645 0.80 EGLN2 (0.46) ALDH1A1MAPTEGLN2KMT2AIDO1
SCHEMBL8317767 0.80 EGLN2 (0.46) ALDH1A1MAPTEGLN2KMT2AIDO1
SCHEMBL3267016 0.80 EGLN2 (0.46) ALDH1A1MAPTEGLN2KMT2AIDO1
SCHEMBL28242041 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL17700200 0.79 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL4220507 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL10019234 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AIDO1MEN1
SCHEMBL11781963 0.76 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2IDH2

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
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN claimed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALDH1A1 510/4885MAPT 2597/4885EGLN2 746/4885

“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.