SCHEMBL30804135

SCHEMBL30804135

C[C@H](N)C(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 1.00
ABL1 P00519 7/20 0.69
ALDH1A1 P00352 3/20 0.69
KDR P35968 2/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
HTT P42858 2/20 0.69
HIF1A Q16665 2/20 0.69
ABCC4 O15439 1/20 0.69
USP2 O75604 1/20 0.69
POLB P06746 2/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FABP6 P51161 1/20 0.58
SCD O00767 1/20 0.56
MAPK1 P28482 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL4455699 0.84 ABL1 (0.77) XIAPABL1ALDH1A1KDRLMNA
Mebendazole SCHEMBL536464 0.82 ABL1 (1.00) XIAPABL1ALDH1A1KDRLMNA
Mebendazole SCHEMBL29390263 0.82 ABL1 (1.00) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL14643226 0.81 XIAP (0.68) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL14643048 0.80 ABL1 (1.00) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL14643024 0.79 XIAP (0.64) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL24209313 0.78 ABL1 (0.79) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL14643027 0.77 ABL1 (0.89) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL12420287 0.77 ABL1 (0.66) XIAPABL1ALDH1A1KDRLMNA
SCHEMBL14643046 0.77 ABL1 (1.00) XIAPABL1ALDH1A1KDRLMNA

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-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-03-14 US claimed
US-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-03-14 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-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF BIRC5, BIRC2, BIRC3 XIAP 6/4885ABL1 3292/4885ALDH1A1 4373/4885

“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.