Sugi Predict

Sugi Predict / Compounds / SCHEMBL401706

SCHEMBL401706

SCHEMBL401706

Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(C)c4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ HPRT1 P00492 1/20 0.39
▸ COMT P21964 1/20 0.38
▸ MCL1 Q07820 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.34

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
SCHEMBL10041934 1.00 CYP1A2 (0.42) CYP1A2HPRT1COMTMCL1CKS1B
SCHEMBL25623992 0.95 CYP1A2 (0.46) CYP1A2COMTMCL1RAB9ANPC1
SCHEMBL15133378 0.93 CYP1A2 (0.45) CYP1A2MCL1RAB9ATDP1CYP2C19
SCHEMBL12886014 0.86 TNKS2 (0.39) CYP1A2MCL1RAB9ANPC1CYP2C19
SCHEMBL12619657 0.85 TSHR (0.43) CYP1A2COMTRAB9ANPC1SMN1; SMN2
SCHEMBL403465 0.84 HPRT1 (0.37) HPRT1COMTCKS1BSKP2RAB9A
SCHEMBL21109108 0.84 CYP1A2 (0.59) CYP1A2COMTMCL1RAB9ANPC1
SCHEMBL12886011 0.84 TNKS2 (0.40) CYP1A2HPRT1MCL1RAB9ANPC1
SCHEMBL13658643 0.83 COMT (0.40) HPRT1COMTRAB9ANPC1TDP1
SCHEMBL22079686 0.83 HPRT1 (0.45) CYP1A2HPRT1RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217674-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-08-23 — — EP disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 — — US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 — — US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 — — US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 — — US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 — — US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 — — US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 — — US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 — — US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 — — US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 — — US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 — — 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 (3 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP1A2 85/4885HPRT1 2782/4885COMT 38/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP1A2 85/4885HPRT1 2782/4885COMT 38/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CYP1A2 85/4885HPRT1 2782/4885COMT 38/4885

“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.