SCHEMBL5652014

SCHEMBL5652014

O=C(Oc1ccc(-c2ccc(Br)cc2)cc1)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
RAB9A P51151 2/20 0.76
KDM4E B2RXH2 1/20 0.76
NPC1 O15118 1/20 0.76
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 2/20 0.60
MEN1 O00255 3/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
EPHX1 P07099 1/20 0.58
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 1/20 0.56
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL30520172 0.95 CYP1A2 (0.71) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5649640 0.86 KMT2A (1.00) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5650649 0.84 KMT2A (0.74) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL830030 0.82 SMN1; SMN2 (0.78) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5646059 0.81 KMT2A (0.70) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL25224294 0.80 ALDH1A1 (0.79) KMT2ASMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL18343856 0.80 ALDH1A1 (0.72) KMT2ASMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL8247308 0.80 CYP1A2 (1.00) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL19066237 0.79 ALDH1A1 (0.82) KMT2ASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL5101418 0.79 KMT2A (0.82) KMT2ASMN1; SMN2RAB9AKDM4ENPC1

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 KMT2A 4150/4885SMN1; SMN2 4233/4885RAB9A 2926/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL KMT2A 4322/4885SMN1; SMN2 4133/4885RAB9A 3386/4885

“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.