SCHEMBL3718871

SCHEMBL3718871

O=[N+]([O-])c1cc(F)ccc1N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.63
LMNA P02545 3/20 0.63
MAPK1 P28482 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 10/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CTSB P07858 1/20 0.57
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3154116 0.88 MAPT (0.64) MAPTLMNAMAPK1TDP1ALDH1A1
SCHEMBL28038606 0.86 ALDH1A1 (0.67) MAPTLMNAMAPK1TDP1L3MBTL1
SCHEMBL1110499 0.84 GAA (0.69) MAPTLMNAMAPK1TDP1L3MBTL1
SCHEMBL3485338 0.84 GAA (0.69) MAPTLMNAMAPK1TDP1L3MBTL1
SCHEMBL7800482 0.83 GAA (0.72) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL2711990 0.83 MAPT (0.77) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL16697818 0.82 MAPT (0.65) MAPTLMNAMAPK1TDP1L3MBTL1
SCHEMBL29139536 0.82 ALDH1A1 (0.75) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL259406 0.82 MAPT (0.69) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL2712983 0.82 MAPT (0.63) MAPTLMNAMAPK1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
EP-3102193-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES Rutgers, The State University of New Jersey (US) 2016-12-14 EP disclosed
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-12-01 US disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 WO disclosed
WO-2015110263-A1 CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS AC IMMUNE SA (CH) 2015-07-30 WO disclosed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 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 (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-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT MAPT 2405/4885LMNA 1804/4885MAPK1 2478/4885
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins APP, BACE1, PSEN1 MAPT 8/4885LMNA 2512/4885MAPK1 2801/4885

“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.