SCHEMBL12224657

SCHEMBL12224657

c1ccc(C(=NNc2cc3c4ccccc4c(-c4cccc(-c5ccncc5)n4)cc3c3ccccc23)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
DHODH Q02127 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL12315041 0.88 MAOA (0.36) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12197878 0.78 CYP2C9 (0.34) ALDH1A1LMNAMAPTPOLBCYP3A4
SCHEMBL12201496 0.78 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12225434 0.74 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12794230 0.73 SIRT2 (0.39) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12223948 0.72 RAB9A (0.46) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12197872 0.72 RAB9A (0.39) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL12224268 0.71 CCR1 (0.37) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL19844146 0.71 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL10021267 0.69 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2HTTMAPT

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-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 ALDH1A1 837/4885LMNA 1205/4885SMN1; SMN2 3559/4885

“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.