SCHEMBL996446

SCHEMBL996446

NC(=O)c1ccc(Cl)c(-n2nnc3ccccc32)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 10/20 0.43
MGAM O43451 9/20 0.43
AMY1A P0DUB6 9/20 0.43
SI P14410 9/20 0.43
MGAM2 Q2M2H8 9/20 0.43
KCNMA1 Q12791 2/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F12 P00748 2/20 0.40
RAB9A P51151 2/20 0.38
WEE1 P30291 1/20 0.38
PKMYT1 Q99640 1/20 0.38
NPC1 O15118 1/20 0.38
MIF P14174 1/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL2395074 0.70 KCNMA1 (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL16882633 0.69 ALDH1A1 (0.51) GLATHRBGAAMGAMAMY1A
SCHEMBL25022126 0.69 GAA (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL3936368 0.69 CA12 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL9586148 0.68 KCNMA1 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL16404988 0.67 KCNMA1 (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL23840194 0.66 KCNMA1 (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL12204501 0.65 SLC9A1 (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL8151358 0.65 SMN1; SMN2 (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL19092972 0.64 KCNMA1 (0.61) GAAMGAMAMY1ASIMGAM2

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
EP-2272982-A1 Method for treatment of prostate cancer and diagnosing of patients benefiting from the same VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2011-01-12 EP disclosed
US-20100215638-A1 METHOD FOR TREATMENT OF PROSTATE CANCER AND SCREENING OF PATIENTS BENEFITING FROM SAID METHOD VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-26 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-20100215638-A1 METHOD FOR TREATMENT OF PROSTATE CANCER AND SCREENING OF PATIENTS BENEFITING FROM SAID METHOD ERG, KLK3, ESRRB GLA 289/4885THRB 2248/4885GAA 2316/4885

“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.