SCHEMBL4485571

SCHEMBL4485571

c1ccc(-c2ccc(CNC[C@H]3CCCO3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
PKM P14618 1/20 0.57
POLB P06746 1/20 0.51
CCR5 P51681 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL18541807 0.91 KMT2A (0.70) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL23531478 0.91 KMT2A (0.70) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL28130536 0.91 KMT2A (0.70) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL25376808 0.86 KMT2A (0.64) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL29238442 0.82 KMT2A (0.58) KMT2AL3MBTL1ATMPKM
SCHEMBL14690575 0.82 KMT2A (0.58) KMT2AL3MBTL1ATMPKM
SCHEMBL17850457 0.82 KMT2A (0.71) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL3196036 0.82 KMT2A (0.71) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL2237397 0.82 KMT2A (0.71) KMT2AALDH1A1L3MBTL1ATMPKM
SCHEMBL10288644 0.82 KMT2A (0.71) KMT2AALDH1A1L3MBTL1ATMPKM

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KMT2A 1765/4885ALDH1A1 1390/4885L3MBTL1 444/4885

“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.