SCHEMBL22204516

SCHEMBL22204516

O=C(O)c1ccn(-c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL27316181 0.87 MAPT (0.39) GRM5NPC1RAB9AHCAR1PLAU
SCHEMBL29444927 0.80 SLC5A1 (0.48) NPC1RAB9AL3MBTL1ELANEMAPT
SCHEMBL29571602 0.77 ALDH1A1 (0.41) NPC1RAB9AHCAR1TDP1L3MBTL1
SCHEMBL15639208 0.77 ALDH1A1 (0.41) NPC1RAB9AHCAR1TDP1L3MBTL1
SCHEMBL27344914 0.77 MAPT (0.41) GRM5NPC1RAB9AHCAR1MAPT
SCHEMBL2510446 0.76 IDO1 (0.42) RAB9ATDP1L3MBTL1TSHRMAPT
SCHEMBL15754580 0.75 ALDH1A1 (0.54) L3MBTL1MAPTAKR1C3AKR1C1ALDH1A1
SCHEMBL1462240 0.75 MAPT (0.58) L3MBTL1TSHRMAPTALDH1A1CYP1A2
SCHEMBL6448373 0.74 KMT2A (0.50) NPC1RAB9AHCAR1TDP1L3MBTL1
SCHEMBL3383807 0.74 ALDH1A1 (0.45) MAPTAKR1C3AKR1C1ALDH1A1CYP1A2

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-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF BIOARDIS LLC (US) 2020-08-20 US disclosed
EP-3680236-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF Bioardis LLC (US) 2020-07-15 EP disclosed
CN-1050382-A Pyrazole derivatives and preparation method thereof and medicinal compositions FUJISAWA PHARMACEUTICAL CO (JP) 1991-04-03 CN 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-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF FGFR4, FGFR1, FGFR3 GRM5 3181/4885NPC1 2095/4885RAB9A 4058/4885

“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.