SCHEMBL23850169

SCHEMBL23850169

N#Cc1ccc(N2CCC(C#N)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
MAPK1 P28482 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
VCAM1 P19320 1/20 0.48
GAA P10253 3/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
HTT P42858 1/20 0.46
CTPS1 P17812 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A3 P47895 1/20 0.43

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
SCHEMBL31587565 1.00 MAPT (0.58) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL23851510 0.88 MAPT (0.59) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL20524573 0.87 MAPT (0.62) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL28799327 0.84 MAPT (0.55) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL23850391 0.83 ALDH1A1 (0.65) MAPTMAPK1TDP1ALDH1A1VCAM1
SCHEMBL31587859 0.83 ALDH1A1 (0.65) MAPTMAPK1TDP1ALDH1A1VCAM1
SCHEMBL28867034 0.81 MAPT (0.60) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL23850819 0.81 MAPT (0.72) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL31587566 0.81 MAPT (0.72) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL14335232 0.80 MAPT (0.54) MAPTMAPK1TDP1ALDH1A1KMT2A

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-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 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 (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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 MAPT 4705/4885MAPK1 4309/4885TDP1 4857/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR MAPT 302/4885MAPK1 1915/4885TDP1 1403/4885

“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.