SCHEMBL964648

SCHEMBL964648

Cc1nn(Cc2ccccc2)c(Cl)c1C=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.47
GAA P10253 2/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL15333494 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL3322315 0.86 HPGD (0.63) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL15330865 0.83 CMA1 (0.50) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL29951706 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL29950809 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL29951177 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6417130 0.80 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL29958109 0.80 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL25972149 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL29951365 0.79 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EHTT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
US-4248881-A BACTERICIDES, FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1981-02-03 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 KMT2A 1809/4885MEN1 1234/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KMT2A 2017/4885MEN1 4766/4885ALDH1A1 821/4885

“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.