SCHEMBL5643178

SCHEMBL5643178

CCOC(=O)c1nc2n(c(=O)c1O)CCC(=O)N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.36
KDM5B Q9UGL1 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
CYP1A2 P05177 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 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
SCHEMBL5645061 0.87 KDM5B (0.36) KDM4EMAPTHPGDRAB9AALDH1A1
SCHEMBL4392397 0.79 KDM5B (0.34) KDM4EMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5538575 0.79 KDM5B (0.36) KDM4EMAPTALDH1A1KDM5BADORA1
SCHEMBL5643707 0.78 PDE3B (0.41) KDM4EMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL5646359 0.76 OPRM1 (0.35) KDM4EMAPTSMN1; SMN2HPGDRAB9A
SCHEMBL5644226 0.76 MAPT (0.36) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL5645240 0.75 KDM4E (0.39) KDM4EMAPTSMN1; SMN2HPGDRAB9A
SCHEMBL2530132 0.74 MAPT (0.45) KDM4EMAPTSMN1; SMN2HPGDRAB9A
SCHEMBL12777983 0.72 POLB (0.47) KDM4EMAPTSMN1; SMN2HPGDRAB9A
SCHEMBL14064595 0.72 KDM4E (0.38) KDM4EMAPTSMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C KDM4E 1231/4885MAPT 3718/4885SMN1; SMN2 4469/4885

“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.