SCHEMBL20172749

SCHEMBL20172749

c1ccc(-c2ccc3c(-c4ccccc4)cc4c(-c5ccccc5)cc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.45
ACACA Q13085 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 5/20 0.42
ADORA1 P30542 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
ACHE P22303 1/20 0.41
ADORA3 P0DMS8 2/20 0.40

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
SCHEMBL23942 0.92 TOP1 (0.50) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL22434702 0.91 PARP1 (0.44) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL12112655 0.90 ACACA (0.51) TOP1ACACAMEN1KMT2AALDH1A1
SCHEMBL27752791 0.90 TOP1 (0.49) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL12112619 0.89 ACACA (0.45) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL10032326 0.89 ACACA (0.45) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL10032283 0.89 ACACA (0.45) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL25850603 0.89 ACACA (0.45) TOP1ACACAMEN1KMT2ARAB9A
SCHEMBL3358457 0.89 ACACA (0.50) TOP1ACACAMEN1KMT2AALDH1A1
SCHEMBL17899330 0.89 ACACA (0.50) TOP1ACACAMEN1KMT2AALDH1A1

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-10629817-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-04-21 US disclosed
US-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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 (2 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-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES KCNB2, KCNB1, GJB2 TOP1 3480/4885ACACA 3821/4885MEN1 714/4885
US-10629817-B2 Materials for organic electroluminescent devices KCNB2, KCNB1, GJB2 TOP1 3520/4885ACACA 3915/4885MEN1 699/4885

“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.