SCHEMBL1822378

SCHEMBL1822378

C[C@@H](C(=O)N(C)c1ccccc1)N(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 1/20 0.43
LMNA P02545 2/20 0.42
FAAH O00519 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LIPE Q05469 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8586518 0.82 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26644166 0.82 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26644163 0.82 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL755702 0.82 ALDH1A1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL755703 0.82 ALDH1A1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1139982 0.82 MLYCD (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8010212 0.81 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29557825 0.80 SMN1; SMN2 (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8226911 0.80 ALDH1A1 (0.42) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL32662705 0.80 ALDH1A1 (0.42) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 KMT2A 4052/4885CHRNB2 2712/4885CHRNB4 2719/4885

“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.