SCHEMBL5651256

SCHEMBL5651256

O=C(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
FAAH O00519 4/20 0.61
MGLL Q99685 4/20 0.61
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP2D6 P10635 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PHGDH O43175 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL1115881 0.96 CYP1A2 (0.64) RAB9AMGLLCYP1A2CYP2C9CYP2C19
SCHEMBL5653105 0.86 POLB (0.71) FAAHMGLLCYP1A2CYP2D6KMT2A
SCHEMBL18424173 0.83 CYP1A2 (0.73) FAAHMGLLCYP1A2CYP2D6KMT2A
SCHEMBL26042174 0.83 CYP1A2 (0.69) FAAHMGLLCYP1A2CYP2D6KMT2A
SCHEMBL29082478 0.82 CYP1A2 (0.62) RAB9AMGLLCYP1A2CYP2C9CYP2C19
SCHEMBL5649217 0.81 HSD17B10 (0.81) RAB9ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL640619 0.81 CYP1A2 (0.76) RAB9AFAAHMGLLCYP1A2CYP2D6
SCHEMBL3044836 0.81 MAPT (0.69) FAAHMGLLCYP1A2CYP2D6SMN1; SMN2
SCHEMBL4599121 0.80 ALDH1A1 (0.65) RAB9AMGLLKDM4EKMT2ASMN1; SMN2
SCHEMBL3996605 0.79 MGLL (0.63) FAAHMGLLCYP1A2CYP2D6

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
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (2 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL RAB9A 2926/4885FAAH 474/4885MGLL 8/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL RAB9A 3386/4885FAAH 352/4885MGLL 10/4885

“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.