SCHEMBL23727765

SCHEMBL23727765

CC1(c2ccc([N+](=O)[O-])cc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RECQL P46063 2/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
METAP1 P53582 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL7712056 0.80 MMP2 (0.42) PGRKMT2AMEN1KDM4EALDH1A1
SCHEMBL7711516 0.79 MMP2 (0.39) LMNAHSD17B10KDM4EALDH1A1MAPT
SCHEMBL7711504 0.77 MMP2 (0.39) LMNAHSD17B10KMT2AMEN1NPC1
SCHEMBL7713918 0.75 KMT2A (0.39) LMNAHSD17B10KMT2AMEN1NPC1
SCHEMBL23089084 0.71 MAPK1 (0.33) NPC1RAB9AMAPK1
SCHEMBL5856716 0.69 HCAR2 (0.40) LMNAHSD17B10KMT2ANPC1RAB9A
Acetonitrile SCHEMBL28782625 0.66 ALDH1A1 (0.58) LMNAHSD17B10RECQLACHEKMT2A
SCHEMBL7708743 0.66 ALDH1A1 (0.35) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7705311 0.66 HCAR3 (0.43)
Hydrogen Sulfide SCHEMBL27319417 0.65 ALDH1A1 (0.68) LMNAHSD17B10RECQLACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 PGR 1918/4885LMNA 2810/4885HSD17B10 1814/4885

“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.