SCHEMBL376343

SCHEMBL376343

COC1(Cc2ccccc2Br)CCC(N2CCNCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 1/20 0.38
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
GNAI3 P08754 1/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
TACR1 P25103 1/20 0.34
CCR5 P51681 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
SCHEMBL376616 0.87 LMNA (0.44) HPGDKMT2ASMN1; SMN2SLC6A4SLC6A2
SCHEMBL376739 0.86 KMT2A (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2SLC6A4
SCHEMBL376318 0.86 SLC6A4 (0.39) HPGDKMT2ASMN1; SMN2SLC6A4SLC6A2
SCHEMBL376578 0.83 HPGD (0.46) HPGDKMT2ASMN1; SMN2
SCHEMBL14028709 0.78 TAAR1 (0.37) ALDH1A1KMT2ACARM1PRMT6
SCHEMBL376786 0.78 KDM1A (0.45) ALDH1A1KMT2A
SCHEMBL376628 0.75 MAPT (0.43) ALDH1A1TSHRRECQLL3MBTL1KMT2A
SCHEMBL376627 0.75 MAPT (0.43) ALDH1A1TSHRRECQLL3MBTL1KMT2A
SCHEMBL13503552 0.75 TAAR1 (0.34) ALDH1A1TSHRRECQLL3MBTL1CARM1
SCHEMBL376658 0.70 TAAR1 (0.37) ALDH1A1KMT2ASMN1; SMN2

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 ALDH1A1 2354/4885TSHR 4115/4885RECQL 3941/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885TSHR 4115/4885RECQL 3941/4885

“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.