SCHEMBL2627005

SCHEMBL2627005

C1=C(c2ccc(C3=Cc4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4C3)cc2)Cc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL2626975 0.87 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1KDM4ECYP1A2
SCHEMBL2627026 0.86 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1KDM4ECYP1A2
SCHEMBL12128418 0.84 RELA (0.35) CYP11B1CYP11B2ALDH1A1KDM4ECYP1A2
SCHEMBL2627027 0.83 CYP11B1 (0.38) CYP11B1CYP11B2ALDH1A1KDM4ECYP1A2
SCHEMBL2626997 0.83 CYP11B1 (0.33) CYP11B1CYP11B2IP6K1IP6K3
SCHEMBL25736312 0.82 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EMAPT
SCHEMBL2626987 0.81 CYP11B2 (0.44) CYP11B1CYP11B2L3MBTL1NISCH
SCHEMBL2627001 0.77 APP (0.38) CYP11B1CYP11B2ALDH1A1KDM4ECYP1A2
SCHEMBL14111991 0.77 ESR1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14111989 0.77 ESR1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8164251-B2 Aromatic amine derivatives and organic electroluminescence devices using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-04-24 US disclosed
US-8164251-B2 Aromatic amine derivatives and organic electroluminescence devices using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-04-24 US disclosed
US-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-02 US disclosed
US-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-02 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-20090085468-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME TYR, EML4, MAOA CYP11B1 2926/4885CYP11B2 2449/4885ALDH1A1 173/4885

“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.