SCHEMBL960146

SCHEMBL960146

O=C(O)C(CCCCCl)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
TBXAS1 P24557 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CPB2 Q96IY4 4/20 0.35
CPB1 P15086 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL16751892 0.84 AKR1C3 (0.49) AKR1C3AKR1C2NAPRTP4HTMLMNA
SCHEMBL350463 0.81 AKR1C3 (0.61) AKR1C3AKR1C2NAPRTP4HTMALDH1A1
SCHEMBL961245 0.80 POLB (0.50) TBXAS1LMNAPOLBL3MBTL1TDP1
SCHEMBL27842577 0.79 POLB (0.53) TBXAS1POLBL3MBTL1TDP1ALDH1A1
SCHEMBL1533351 0.77 POLB (0.54) LMNAPOLBL3MBTL1TDP1CPB2
SCHEMBL962850 0.76 TBXAS1 (0.52) TBXAS1LMNAPOLBCPB2CYP2D6
SCHEMBL6123335 0.76 ALDH1A1 (0.44) AKR1C3AKR1C2LMNAALDH1A1SMN1; SMN2
SCHEMBL961952 0.76 KMT2A (0.51) TBXAS1LMNAPOLBL3MBTL1TDP1
SCHEMBL962540 0.76 POLB (0.41) TBXAS1POLBL3MBTL1TDP1CPB2
SCHEMBL8868237 0.75 TBXAS1 (0.55) TBXAS1LMNAPOLBCPB2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356081-B Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2014-08-27 CN disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 AKR1C3 1257/4885AKR1C2 1408/4885NAPRT 1064/4885

“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.