SCHEMBL5455017

SCHEMBL5455017

CN1CCc2c(sc(N[C@@H](CC(=O)c3ccccc3N)C(N)=O)c2C(N)=O)C1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.38
KMT2A Q03164 10/20 0.38
MEN1 O00255 4/20 0.38
FLT3 P36888 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 2/20 0.34
RAD52 P43351 2/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
USP2 O75604 1/20 0.34
PSMD14 O00487 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 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
SCHEMBL5445189 0.70 ATM (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL7673421 0.64 ALDH1A1 (0.42) CFTRNPC1RAB9AALDH1A1MAPT
SCHEMBL27372384 0.64 ALDH1A1 (0.42) CFTRKMT2ANPC1RAB9AALDH1A1
SCHEMBL15628062 0.61 ALDH1A1 (0.45) CFTRPOLBALDH1A1MAPT
SCHEMBL11502821 0.59 ALDH1A1 (0.45) CFTRKMT2AMEN1NPC1RAB9A
SCHEMBL18796376 0.58 GAA (0.46) CFTRNPC1RAB9AALDH1A1MAPT
SCHEMBL19273911 0.58 GAA (0.46) CFTRNPC1RAB9AALDH1A1MAPT
SCHEMBL31520051 0.58 KDM4E (0.47) CFTRKMT2AMEN1NPC1RAB9A
SCHEMBL30852402 0.58 KDM4E (0.47) CFTRKMT2AMEN1NPC1RAB9A
SCHEMBL247554 0.58 KDM4E (0.47) CFTRKMT2AMEN1NPC1RAB9A

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 CFTR 2030/4885KMT2A 4785/4885MEN1 2891/4885

“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.