Sugi Predict

Sugi Predict / Compounds / SCHEMBL6123239

SCHEMBL6123239

SCHEMBL6123239

Cc1nccc2c1[nH]c1ccc(-c3cccc(N)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ GABRP O00591 1/20 0.55
▸ GABRD O14764 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ GABRA1 P14867 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ GABRB1 P18505 1/20 0.55
▸ GABRG2 P18507 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ GABRB3 P28472 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL2721485 0.88 MAOA (0.67) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29227284 0.84 MAOA (0.61) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2730361 0.84 MAOA (0.55) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6123249 0.84 TDO2 (0.57) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6122809 0.84 CCNB2 (0.60) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2721739 0.84 MAOA (0.51) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2731668 0.83 MAOA (0.56) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6122954 0.83 MAOA (0.54) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2718618 0.83 TTK (0.57) MAOAKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL27911883 0.82 MAOA (0.52) MAOAKDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 — — US claimed
EP-2455378-A1 Carbazole and carboline derivatives, and preparation and therapeutic applications thereof Philip Morris Products S.A. (CH) 2012-05-23 — — EP claimed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 — — US disclosed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 — — US disclosed
US-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A. (CH) 2013-10-17 — — US disclosed
EP-2455378-A1 Carbazole and carboline derivatives, and preparation and therapeutic applications thereof Philip Morris Products S.A. (CH) 2012-05-23 — — EP 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-20130274258-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF CCNI, CCNY, CYCS MAOA 1701/4885KDM4E 2711/4885ALDH1A1 461/4885

“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.