SCHEMBL3044094

SCHEMBL3044094

O=C(NCc1cccnc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
HTT P42858 2/20 0.43
GFER P55789 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EIF4E P06730 1/20 0.42

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
SCHEMBL3045774 0.92 HDAC2 (0.44) LMNASMN1; SMN2KMT2AGAAEIF4E
SCHEMBL3046947 0.91 AURKA (0.46) SMN1; SMN2KMT2AALDH1A1NPSR1TSHR
SCHEMBL3051466 0.90 ALDH1A1 (0.42) KMT2AALDH1A1ROCK2EIF4EMAOB
SCHEMBL3044781 0.85 AURKA (0.42) ALDH1A1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL3046658 0.85 AURKA (0.41) LMNAKMT2AALDH1A1HTTCYP1A2
SCHEMBL3043641 0.84 NPC1 (0.49) LMNASMN1; SMN2KMT2AALDH1A1ROCK2
SCHEMBL28768707 0.84 LMNA (0.45) LMNASMN1; SMN2KMT2AALDH1A1ROCK2
SCHEMBL3048204 0.83 HDAC2 (0.41) SMN1; SMN2ROCK2L3MBTL1CNR1MAPT
SCHEMBL3041519 0.83 HPGD (0.45) SMN1; SMN2KMT2AALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL3040466 0.81 KDR (0.42) KMT2ATSHRCYP1A2BLMMAOB

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-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

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 LMNA 2965/4885SMN1; SMN2 3395/4885KMT2A 320/4885

“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.