SCHEMBL3758893

SCHEMBL3758893

Clc1cnnc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
CCR8 P51685 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.39
LMNA P02545 5/20 0.39
HSP90AA1 P07900 5/20 0.39
MAPT P10636 4/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MMP14 P50281 3/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 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
SCHEMBL16626083 0.76 PRMT5 (0.49) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL30451883 0.76 PRMT5 (0.41) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL18878957 0.76 PRMT5 (0.41) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL9058058 0.73 KDM4E (0.50) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL11391 0.72 KDM4E (0.46) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL3764679 0.72 CCR1 (0.43) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL19759428 0.72 SLC40A1 (0.38) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL14289097 0.72 TGFBR1 (0.35) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL14310934 0.72 SLC40A1 (0.35) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL18878956 0.72 KDM4E (0.39) CCR1CCR8L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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 (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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 CCR1 3541/4885CCR8 3352/4885L3MBTL1 1223/4885

“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.