SCHEMBL1816593

SCHEMBL1816593

O=C(CCc1ccccc1)Nc1nc2c(s1)CCc1cc(O)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALOX5 P09917 1/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 8/20 0.50
MEN1 O00255 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PLTP P55058 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
HCAR2 Q8TDS4 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C8 P10632 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 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
SCHEMBL1814371 0.90 KMT2A (0.56) KMT2AALOX5POLBMAPTMEN1
SCHEMBL1813074 0.83 MAPT (0.63) KMT2APOLBMAPTMEN1RAB9A
SCHEMBL11971497 0.82 KMT2A (0.55) KMT2AALOX5POLBMAPTMEN1
SCHEMBL13067857 0.76 HCAR2 (0.49) POLBRAB9ANPC1HCAR2CYP2C9
SCHEMBL12838644 0.76 HCAR2 (0.49) HCAR2CYP2C9CYP2C8TOP2ATOP2B
SCHEMBL13068114 0.76 HCAR2 (0.49) LMNAHCAR2CYP2C9CYP2C8ADORA3
SCHEMBL12840580 0.75 HCAR2 (0.48) LMNAPLTPHCAR2CYP2C9CYP2C8
SCHEMBL12838603 0.75 HCAR2 (0.48) KMT2AMEN1PLTPHCAR2CYP2C9
SCHEMBL12838640 0.75 HCAR2 (0.49) HCAR2CYP2C9CYP2C8TOP2ATOP2B
SCHEMBL12839759 0.74 HCAR2 (0.45) ALDH1A1KDM4EHCAR2CYP2C9CYP2C8

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-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US claimed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
CN-102686571-A Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R KMT2A 3948/4885ALOX5 1071/4885POLB 3030/4885

“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.