SCHEMBL22348661

SCHEMBL22348661

O=C(Nc1nccs1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
MAPT P10636 5/20 0.72
KDM4E B2RXH2 2/20 0.72
LMNA P02545 1/20 0.72
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
RAB9A P51151 6/20 0.65
THRB P10828 1/20 0.65
MAPK9 P45984 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MGAM O43451 1/20 0.64
GAA P10253 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.60

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
Nitrobenzene SCHEMBL27694792 0.88 NPC1 (0.82) NPC1MAPTKDM4ELMNAKMT2A
SCHEMBL3191246 0.84 NPC1 (1.00) NPC1MAPTKDM4ELMNAKMT2A
Nitrobenzene SCHEMBL27714762 0.82 MAPT (0.68) NPC1MAPTKDM4ELMNARAB9A
SCHEMBL7357499 0.81 NPC1 (0.68) NPC1MAPTLMNAKMT2AMEN1
SCHEMBL27861123 0.81 KMT2A (0.68) NPC1MAPTKDM4ELMNAKMT2A
SCHEMBL27739695 0.80 NPC1 (0.70) NPC1MAPTLMNAKMT2AMEN1
SCHEMBL24142977 0.79 MEN1 (0.61) NPC1MAPTKDM4ELMNAKMT2A
SCHEMBL22348631 0.79 NPC1 (0.69) NPC1MAPTLMNAKMT2AMEN1
SCHEMBL8555330 0.79 TP53 (0.70) NPC1MAPTKDM4ELMNAKMT2A
SCHEMBL27760115 0.79 NPC1 (0.68) NPC1MAPTKDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-06-03 US disclosed
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-03-17 US disclosed
EP-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168149-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 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-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators NR1H4, FXR1, NR1H3 NPC1 177/4885MAPT 2757/4885KDM4E 3881/4885
US-20220081430-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS NR1H4, NR1H3, NR1H2 NPC1 214/4885MAPT 2722/4885KDM4E 3829/4885

“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.