SCHEMBL1669797

SCHEMBL1669797

CC1(C)OCCn2c1nc(-c1nnc(Cc3ccc(F)cc3)o1)c(OCc1ccccc1)c2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
HPGD P15428 4/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
APLNR P35414 3/20 0.33
TSHR P16473 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL12225704 0.88 APLNR (0.37) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL1669200 0.83 NPC1 (0.39) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL1669342 0.82 ALDH1A1 (0.36) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL1669379 0.82 SMN1; SMN2 (0.35) SMN1; SMN2HPGDTP53L3MBTL1TSHR
SCHEMBL12198954 0.80 SMN1; SMN2 (0.36) SMN1; SMN2HPGDL3MBTL1TSHRALDH1A1
SCHEMBL2545473 0.77 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9905364 0.76 MAPT (0.35) MAPTSMN1; SMN2HPGDTP53LIPG
SCHEMBL14122344 0.75 MAPT (0.34) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL823364 0.75 NR1H4 (0.44) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL14214195 0.74 PRSS1 (0.35) MAPTSMN1; SMN2HPGDLIPGALDH1A1

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-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MAPT 2585/4885SMN1; SMN2 4431/4885RAB9A 3210/4885

“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.