SCHEMBL5787337

SCHEMBL5787337

CCOC(=O)c1nc(-c2ccc(OC)nc2)c(-c2cccnc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
GABRA5 P31644 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
JMJD6 Q6NYC1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
PPARD Q03181 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL5781310 0.83 CDC7 (0.48) CYP19A1CDC7DBF4MMP2MMP13
SCHEMBL6539753 0.81 MEN1 (0.48) NPC1KDM4EPPARDALDH1A1HPGD
SCHEMBL5783684 0.79 KCNH2 (0.47) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2117681 0.74 NR4A2 (0.63) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6228777 0.73 TARBP2 (0.56) NPC1RAB9AKDM4EPPARDALDH1A1
SCHEMBL2112342 0.71 CA1 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5111369 0.71 FAAH (0.56) CDC7DBF4MMP2MMP13MMP14
SCHEMBL1422588 0.71 CYP19A1 (0.65) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6540217 0.71 NR4A2 (0.51) MMP14KDM4EPPARDALDH1A1HPGD
SCHEMBL7659667 0.70 HTT (0.60) CDC7DBF4MMP2MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CYP19A1 1181/4885CDC7 3331/4885DBF4 4503/4885

“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.