SCHEMBL22725172

SCHEMBL22725172

Cc1ccc2c(-c3cccc(-c4ccccc4)c3)nc(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WHR1 P49842 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.45
▸ NR1I3 Q14994 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ NPC1 O15118 1/20 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
SCHEMBL18456158 0.91 WHR1 (0.59) WHR1ALDH1A1KDM4EL3MBTL1DPP4
SCHEMBL18504107 0.84 MEN1 (0.63) WHR1MEN1KMT2AATMMAPT
SCHEMBL20616731 0.84 WHR1 (0.44) WHR1ALDH1A1KDM4EL3MBTL1DPP4
SCHEMBL12136806 0.83 NR1I3 (0.62) WHR1ALDH1A1DPP4MEN1KMT2A
SCHEMBL18504113 0.83 MEN1 (0.61) WHR1MEN1KMT2AATMMAPT
SCHEMBL18504101 0.83 MEN1 (0.66) WHR1MEN1KMT2AATMMAPT
SCHEMBL18504116 0.81 MEN1 (0.64) WHR1MEN1KMT2AATMMAPT
SCHEMBL24084040 0.81 MEN1 (0.58) WHR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18503962 0.81 MEN1 (0.58) WHR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18504103 0.81 MEN1 (0.58) WHR1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200381628-A1 SPECIFIC LADDER TYPE COMPOUNDS FOR ORGANIC LIGHT EMITTING DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2020-12-03 — — 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-20200381628-A1 SPECIFIC LADDER TYPE COMPOUNDS FOR ORGANIC LIGHT EMITTING DEVICES APOL1, HMGB2, LOXL1 WHR1 2356/4885ALDH1A1 101/4885KDM4E 3921/4885

“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.

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