SCHEMBL3044082

SCHEMBL3044082

O=C1NCc2c(Cl)ccc(-c3cc4cc(C(=O)N5CCN(c6ccccn6)CC5)ccc4[nH]3)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 2/20 0.48
KDR P35968 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A7 Q99884 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5047138 0.91 LMNA (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3051403 0.86 LMNA (0.50) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL3051090 0.86 PARP1 (0.46) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL3034121 0.85 KDR (0.48) ALDH1A1KDRMGLL
SCHEMBL3048935 0.85 KDR (0.58) ALDH1A1KDRHPGD
SCHEMBL3047573 0.84 KDR (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1KDR
SCHEMBL3044089 0.83 KDR (0.45) ALDH1A1HSD17B10KDRHPGDMGLL
SCHEMBL3049632 0.83 DRD4 (0.46) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL3043745 0.82 KDR (0.47) MEN1KMT2AALDH1A1KDRMGLL
SCHEMBL3047646 0.82 KDR (0.45) KDRMGLL

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 MEN1 1165/4885KMT2A 320/4885POLB 4110/4885

“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.