SCHEMBL29310311

SCHEMBL29310311

CN1CCc2cc([N+](=O)[O-])cc(Cl)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL5441574 0.91 HTR2A (0.52) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL6293651 0.88 HTR2A (0.47) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL29310334 0.84 L3MBTL1 (0.49) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL20214597 0.82 L3MBTL1 (0.44) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL29310313 0.82 LMNA (0.45) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL21237596 0.77 ALDH1A1 (0.47) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL3440743 0.76 GRIA1 (0.50) L3MBTL1ALDH1A1MAPTLMNAGRIA1
SCHEMBL10082732 0.76 CYP2D6 (0.44)
SCHEMBL5445121 0.76 L3MBTL1 (0.47) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1
SCHEMBL5442760 0.76 LMNA (0.47) HTR2AHTR2CHTR2BL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B HTR2A 4557/4885HTR2C 4383/4885HTR2B 4472/4885

“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.