SCHEMBL2845248

SCHEMBL2845248

CC(=O)Nc1cccc(Oc2ccccc2O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 2/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
P2RX4 Q99571 1/20 0.50

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
SCHEMBL2844061 0.84 HSD17B10 (0.60) MEN1KMT2ARAB9AALDH1A1MTNR1A
SCHEMBL12888865 0.84 MAPK1 (0.65) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14338249 0.84 MTNR1B (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3728925 0.84 ALDH1A1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5753134 0.82 MAPK1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3183886 0.81 ALDH1A1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5751605 0.81 MAPK1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3214802 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL2845250 0.80 MTNR1A (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9162294 0.80 MTNR1B (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 MEN1 3895/4885KMT2A 1371/4885NPC1 1665/4885

“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.