SCHEMBL12202001

SCHEMBL12202001

O=C(COc1ccc(C(=O)c2cccs2)c(Cl)c1)Nc1ccc2cnccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.61
LMNA P02545 2/20 0.49
GALR3 O60755 1/20 0.49
STAT3 P40763 1/20 0.49
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL12201990 0.86 NOTUM (0.60) NOTUMLMNAGALR3STAT3POLB
SCHEMBL12201982 0.86 NOTUM (0.58) NOTUMLMNAGALR3STAT3POLB
SCHEMBL12201981 0.83 NOTUM (0.65) NOTUMLMNAPOLBCYP1A2CYP2C9
SCHEMBL1105179 0.83 CYP2C9 (0.57) NOTUMLMNAGALR3STAT3POLB
SCHEMBL1123774 0.81 NOTUM (0.57) NOTUMLMNAPOLBCYP1A2CYP2C9
SCHEMBL12201994 0.80 NOTUM (0.59) NOTUMLMNAGALR3STAT3POLB
SCHEMBL12201987 0.78 NOTUM (0.65) NOTUMLMNAGALR3POLBCYP1A2
SCHEMBL20353537 0.74 ALDH1A1 (0.65) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL12202000 0.74 NOTUM (0.76) NOTUMLMNAGALR3STAT3POLB
SCHEMBL1105181 0.74 NOTUM (0.65) NOTUMLMNAGALR3POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034943-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-8034943-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 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-20100137364-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK NOTUM 3635/4885LMNA 2665/4885GALR3 1298/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK NOTUM 3635/4885LMNA 2665/4885GALR3 1298/4885

“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.