SCHEMBL6040419

SCHEMBL6040419

CC(C)(N)c1ccc(C2=Nc3ccccc3CN2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CTSD P07339 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
EGFR P00533 2/20 0.34
CCR3 P51677 3/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 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
SCHEMBL6258947 0.83 SIGMAR1 (0.65) SIGMAR1NOS3NOS1NOS2CTSD
SCHEMBL28192155 0.82 SIGMAR1 (0.56) SIGMAR1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL28561721 0.80 SIGMAR1 (0.56) SIGMAR1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL28192173 0.80 SIGMAR1 (0.56) SIGMAR1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL6040414 0.80 SIGMAR1 (0.54) SIGMAR1NOS3NOS1NOS2CTSD
SCHEMBL28192152 0.78 SIGMAR1 (0.58) SIGMAR1NOS3NOS1NOS2CTSD
SCHEMBL28324685 0.77 SIGMAR1 (0.53) SIGMAR1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL28324632 0.74 SIGMAR1 (0.53) SIGMAR1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL28192141 0.72 SIGMAR1 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28854194 0.71 SIGMAR1 (0.52) SIGMAR1NPC1RAB9ASMN1; SMN2HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040106540-A1 Method of treating cancer BARNETT STANLEY F (US) 2004-06-03 US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
EP-1379250-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2002083064-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2002-10-24 WO 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 (3 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-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 SIGMAR1 4576/4885AKT1 4/4885AKT2 2/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 SIGMAR1 3898/4885AKT1 13/4885AKT2 9/4885
US-20040106540-A1 Method of treating cancer PACSIN2, CTTN, PLK1 SIGMAR1 3862/4885AKT1 10/4885AKT2 7/4885

“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.