SCHEMBL334849

SCHEMBL334849

CC(=O)c1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
CYP3A4 P08684 1/20 0.56
BAZ2B Q9UIF8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KCNJ1 P48048 1/20 0.44
ADAM17 P78536 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
AOC2 O75106 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B1 P14061 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL2241437 0.83 KMT2A (0.71) KMT2ACYP3A4BAZ2BL3MBTL1RXFP1
SCHEMBL7316169 0.82 KMT2A (0.69) KMT2AL3MBTL1TSHRMAPTHPGD
SCHEMBL7348821 0.80 KMT2A (0.67) KMT2ACYP3A4BAZ2BRAB9ANPC1
SCHEMBL1377974 0.80 KMT2A (0.67) KMT2ACYP3A4L3MBTL1RAB9ATSHR
SCHEMBL9595456 0.79 KMT2A (0.66) KMT2ACYP3A4RAB9ANPC1TSHR
SCHEMBL9593459 0.76 KMT2A (0.61) KMT2ACYP3A4L3MBTL1RAB9ANPC1
SCHEMBL92862 0.74 KMT2A (0.59) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15801116 0.73 KMT2A (0.58) KMT2ACYP3A4BAZ2BL3MBTL1RXFP1
SCHEMBL371252 0.73 DDAH1 (0.68) KMT2AADAM17HPGDALDH1A1
SCHEMBL50646 0.72 MAPT (0.68) KMT2AL3MBTL1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 EP disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
EP-1751149-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-7098222-B2 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES (US) 2006-08-29 US disclosed
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBVIE INC. 2005-12-08 US disclosed
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 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 (3 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-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 KMT2A 523/4885CYP3A4 1075/4885BAZ2B 612/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 KMT2A 523/4885CYP3A4 1075/4885BAZ2B 612/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885CYP3A4 1107/4885BAZ2B 256/4885

“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.