SCHEMBL4281890

SCHEMBL4281890

c1ccc2nc3cccc(Cc4cccc5nc6ccccc6cc45)c3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
GLA P06280 3/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
PTBP1 P26599 1/20 0.58
RCE1 Q9Y256 1/20 0.58
MAPT P10636 3/20 0.54
ACHE P22303 2/20 0.54
TLR8 Q9NR97 1/20 0.43
IDO1 P14902 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
NQO2 P16083 2/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL30862644 0.91 KMT2A (0.53) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL9848724 0.91 KMT2A (0.53) KMT2AALDH1A1GLAHPGDKDM4E
Water SCHEMBL28249523 0.89 KMT2A (0.51) KMT2AALDH1A1GLAHPGDKDM4E
Acridine SCHEMBL28339251 0.89 ALDH1A1 (0.52) KMT2AALDH1A1GLAHPGDKDM4E
Ammonia Solution, Strong SCHEMBL27611220 0.89 KMT2A (0.51) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL291405 0.89 KMT2A (0.55) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL23421423 0.88 KMT2A (0.58) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL29631756 0.88 KMT2A (0.58) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL7145834 0.85 ALDH1A1 (0.59) KMT2AALDH1A1GLAHPGDKDM4E
SCHEMBL22497413 0.85 ALDH1A1 (0.55) KMT2AALDH1A1GLAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492467-A Resin composition, resin film, and electronic component ZEON CORP 2016-04-13 CN disclosed
CN-104870569-A Adhesive composition LG CHEMICAL LTD 2015-08-26 CN disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 KMT2A 3804/4885ALDH1A1 2031/4885GLA 4041/4885

“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.