SCHEMBL51927

SCHEMBL51927

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCN2CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE5A O76074 1/20 0.39
CHRM4 P08173 1/20 0.38
TRPA1 O75762 1/20 0.38
PRKAA2 P54646 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL52029 0.95 CYP1A2 (0.40) SMN1; SMN2ALDH1A1KDM4EPOLBPDE5A
SCHEMBL51724 0.84 KDM1A (0.36) LMNASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL52140 0.83 P2RX7 (0.35)
SCHEMBL51960 0.83 KCNH2 (0.54) MAPTL3MBTL1SMN1; SMN2GAANPSR1
SCHEMBL51840 0.83 MYC (0.33) L3MBTL1CHRM4
SCHEMBL4396976 0.82 SMN1; SMN2 (0.48) LMNAMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL51077 0.82 MYC (0.34) L3MBTL1ALDH1A1TSHRCYP2C9PDE5A
SCHEMBL4397714 0.82 SCD (0.49) LMNAMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL4398021 0.82 LMNA (0.48) LMNAMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL52371 0.82 KDM1A (0.35) L3MBTL1

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG LMNA 1838/4885MAPT 2585/4885L3MBTL1 2276/4885

“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.