SCHEMBL25822232

SCHEMBL25822232

O=C(c1cccc([N+](=O)[O-])c1)N1CCc2c(Br)cccc21

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
KDM4E B2RXH2 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL25822238 0.82 RXFP1 (0.52) RXFP1KDM4ECES2CES1CA12
SCHEMBL7352861 0.79 PDE4B (0.69) KMT2ASMN1; SMN2TSHR
SCHEMBL25822231 0.78 NPC1 (0.49) RXFP1KDM4ECES2CES1LMNA
SCHEMBL8540787 0.74 KMT2A (0.63) RXFP1KDM4ECES2CES1CA12
SCHEMBL7348013 0.74 RXFP1 (0.51) RXFP1KDM4ELMNAHTTALDH1A1
SCHEMBL8538546 0.73 KMT2A (0.61) RXFP1KDM4ECES2CES1CA12
SCHEMBL29090537 0.73 SLC22A12 (0.55) HTTKMT2A
SCHEMBL1879807 0.73 RXFP1 (0.91) RXFP1KDM4ECA12CA1CA2
SCHEMBL15271998 0.72 RXFP1 (0.74) RXFP1KDM4ECES2CES1CA12
SCHEMBL8614711 0.72 ALDH1A1 (0.61) LMNAHTTKMT2AALDH1A1SMN1; SMN2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA RXFP1 4004/4885KDM4E 4219/4885CES2 3197/4885

“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.