SCHEMBL4339469

SCHEMBL4339469

Clc1cc(CBr)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 2/20 0.40
CYP1A2 P05177 6/20 0.37
CYP2C19 P33261 5/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 3/20 0.35
SSTR2 P30874 1/20 0.33
SSTR4 P31391 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
SCHEMBL27481886 0.85 L3MBTL1 (0.38) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL6413881 0.80 L3MBTL1 (0.41) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL2769421 0.80 HTR2A (0.50) L3MBTL1CYP2A6HIF1AHSD17B10ALDH1A1
SCHEMBL28948705 0.80 PTGS2 (0.42) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL15352016 0.80 L3MBTL1 (0.41) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL28611445 0.80 L3MBTL1 (0.41) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL11555669 0.78 CYP2A6 (0.39) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL17986704 0.78 ALDH1A1 (0.41) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL31621523 0.78 ALDH1A1 (0.41) L3MBTL1CYP2A6CYP1A2CYP2C19HIF1A
SCHEMBL4153146 0.77 TAAR1 (0.47) L3MBTL1CYP2A6CYP1A2HTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 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 (4 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 L3MBTL1 1089/4885CYP2A6 4371/4885CYP1A2 4429/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 L3MBTL1 2065/4885CYP2A6 1746/4885CYP1A2 1687/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 L3MBTL1 1118/4885CYP2A6 4379/4885CYP1A2 4433/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 L3MBTL1 1995/4885CYP2A6 3215/4885CYP1A2 2208/4885

“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.