SCHEMBL3789309

SCHEMBL3789309

CN(C)c1ccc(N(C)C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 4/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
FSCN1 Q16658 1/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
BACE1 P56817 1/20 0.36
CRHR1 P34998 1/20 0.35

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
SCHEMBL3784021 0.81 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL2056277 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10KMT2A
SCHEMBL18346846 0.80 CHEK1 (0.44) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL11766128 0.78 SLC2A1 (0.49) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL19785366 0.78 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL2616324 0.78 GAA (0.59) TSHRHSD17B10GAAKMT2AFSCN1
SCHEMBL21173494 0.77 ALDH1A1 (0.53) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL31366224 0.76 CYP3A4 (0.48) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL12483803 0.76 KMT2A (0.42) ALDH1A1TSHRGAAKMT2AFSCN1
SCHEMBL10153909 0.76 CYP3A4 (0.48) ALDH1A1TSHRALOX15HSD17B10GAA

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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0675404-B1 Image forming process KONISHIROKU PHOTO IND (JP) 2001-09-26 EP disclosed
EP-0675404-A1 Image forming process KONICA CORPORATION (JP) 1995-10-04 EP disclosed
US-4840879-A COLORED LATENT IMAGE IS REACTION PRODUCT OF COUPLER AND AROMATIC PRIMARY AMINO COLOR DEVELOPER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-06-20 US disclosed
US-4330616-A STABILIZING AN AQUEOUS AMINE-CONTAINING DEVELOPING SOLUTION WITH A DIPHOSPHONIC ACID, METAL SALT, IMINODICARBONIC OR POLYPHO0PHORIC ACID KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-05-18 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885TSHR 1688/4885ALOX15 1941/4885

“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.