SCHEMBL25822238

SCHEMBL25822238

O=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HTT P42858 4/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL25822232 0.82 RXFP1 (0.55) RXFP1KMT2AKDM4EHTTLMNA
SCHEMBL8614711 0.82 ALDH1A1 (0.61) KMT2AHTTGAAMAPTLMNA
SCHEMBL25822237 0.79 LMNA (0.45) RXFP1KDM4EMAPTLMNANPC1
SCHEMBL7352861 0.79 PDE4B (0.69) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL27872558 0.73 DRD2 (0.57) HTTMAPTLMNANPC1ALDH1A1
SCHEMBL5899211 0.72 DRD2 (0.57) KMT2AMEN1HTTMAPTLMNA
SCHEMBL5899203 0.72 DRD4 (0.52) RXFP1KMT2AHTTGAAMAPT
SCHEMBL8540787 0.72 KMT2A (0.63) RXFP1KMT2AKDM4EHTTLMNA
SCHEMBL3735431 0.72 DRD2 (0.56) HTTMAPTLMNANPC1ALDH1A1
SCHEMBL7348013 0.71 RXFP1 (0.51) RXFP1KDM4EHTTGAALMNA

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 4004/4885KMT2A 4131/4885MEN1 1172/4885

“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.