SCHEMBL1814539

SCHEMBL1814539

COc1ccc2c(c1)CCC(=O)/C2=C/N(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP26A1 O43174 3/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.46
MAPK1 P28482 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP27A1 Q02318 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1814542 1.00 MIF (0.48) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL30938680 0.81 MIF (0.63) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL29946409 0.81 MIF (0.63) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL7001016 0.81 MIF (0.63) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL7001015 0.81 MIF (0.63) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL4786615 0.81 MAP1LC3B (0.47) ALDH1A1MAPTSMN1; SMN2CYP19A1NPC1
SCHEMBL4786611 0.81 MAP1LC3B (0.47) ALDH1A1MAPTSMN1; SMN2CYP19A1NPC1
SCHEMBL268592 0.80 KDM4E (0.56) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL21328476 0.79 PARP10 (0.43) ALDH1A1MAPTSMN1; SMN2CYP19A1HTT
SCHEMBL21328475 0.79 PARP10 (0.43) ALDH1A1MAPTSMN1; SMN2CYP19A1HTT

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 11 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 disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP 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
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US 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
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 MIF 4670/4885ALDH1A1 3061/4885MAPT 4716/4885

“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.