SCHEMBL376739

SCHEMBL376739

COC1(Cc2ccccc2Cl)CCC(N2CCNCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRB1 P08588 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
POLB P06746 1/20 0.35
GNAI3 P08754 1/20 0.34

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
SCHEMBL376616 0.87 LMNA (0.44) KMT2AHPGDSMN1; SMN2SLC6A4SLC6A2
SCHEMBL376343 0.86 ALDH1A1 (0.41) KMT2AHPGDSMN1; SMN2SLC6A4SLC6A2
SCHEMBL376318 0.86 SLC6A4 (0.39) KMT2AHPGDSMN1; SMN2SLC6A4SLC6A2
SCHEMBL376578 0.83 HPGD (0.46) KMT2AHPGDSMN1; SMN2
SCHEMBL376500 0.78 MAPT (0.46) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL376424 0.75 MAPT (0.43) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13503546 0.75 SLC6A2 (0.36) KMT2ASLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL376843 0.70 POLB (0.38) KMT2ASMN1; SMN2SLC6A4SLC6A3CYP2C9
SCHEMBL12469301 0.69 CHRM1 (0.55) ALDH1A1CHRM1DRD2
SCHEMBL30077068 0.69 CHRM1 (0.55) ALDH1A1CHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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 (2 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD KMT2A 1794/4885HPGD 2179/4885SMN1; SMN2 808/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KMT2A 1794/4885HPGD 2179/4885SMN1; SMN2 808/4885

“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.