SCHEMBL29310331

SCHEMBL29310331

O=C1C=C(c2ccc([N+](=O)[O-])cc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
APP P05067 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
NOTUM Q6P988 1/20 0.40
ADRB1 P08588 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTR7 P34969 2/20 0.38
XDH P47989 1/20 0.38
PARL Q9H300 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL4789631 0.71 HTR2C (0.56) ADRB1SIRT6ADRA2APNMT
Piperazine SCHEMBL28533863 0.70 ADRB1 (0.58) GAAAPPMAPTLMNAADRB1
Hydrochloric Acid SCHEMBL9958496 0.70 HTR2C (0.57) ADRB1SIRT6ADRA2APNMT
SCHEMBL9122080 0.69 APP (0.50) GAAAPPMAPTLMNATDP1
SCHEMBL28198 0.69 CA1 (0.67) GAAAPPMAPTLMNATDP1
SCHEMBL6423919 0.69 CA1 (0.67) GAAAPPMAPTLMNATDP1
SCHEMBL29310329 0.68 KCNJ1 (0.44) MAPTLMNASIRT6PARLALDH1A1
SCHEMBL1066989 0.68 APP (0.54) GAAAPPMAPTLMNATDP1
Azetidine SCHEMBL27897562 0.67 ADRB1 (0.59) GAAMAPTLMNATDP1ADRB1
Water SCHEMBL28670631 0.66 CA1 (0.64) GAAAPPMAPTLMNATDP1

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 1 patent. 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

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 GAA 1170/4885APP 4769/4885MAPT 3813/4885

“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.