SCHEMBL25002469

SCHEMBL25002469

C=C(C)CCNC(=O)c1cc2ccnc(Cl)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 5/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ EIF4E P06730 1/20 0.33

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
SCHEMBL25002506 0.80 PHGDH (0.33) TP53LMNARXFP1ALDH1A1HPGD
SCHEMBL25003513 0.77 SYK (0.38) HDAC1TP53ALDH1A1HPGDRAB9A
SCHEMBL25003583 0.76 JAK2 (0.34) HDAC1HDAC3KDM4E
SCHEMBL24896265 0.76 MAPT (0.46) TP53LMNAALDH1A1HPGDMEN1
SCHEMBL24896282 0.76 TP53 (0.41) TP53RXFP1MAPT
SCHEMBL25003509 0.76 ALDH1A1 (0.38) HDAC1HDAC2TP53LMNARXFP1
SCHEMBL24896281 0.75 PDE4B (0.50) LMNAALDH1A1HPGDRAB9AKDM4E
SCHEMBL20504453 0.75 MCL1 (0.45) LMNARXFP1ALDH1A1HPGDKDM4E
SCHEMBL24896271 0.74 PHGDH (0.41) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL20504325 0.74 L3MBTL1 (0.47) ALDH1A1HPGDRAB9AMEN1KMT2A

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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-09 — — 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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 HDAC1 107/4885HDAC2 284/4885TP53 4119/4885

“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.

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