SCHEMBL12677705

SCHEMBL12677705

c1cc2c3ccoc3ccn2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
FTO Q9C0B1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KLK7 P49862 1/20 0.36
HTR2C P28335 2/20 0.34
NFKB1 P19838 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNA3 P22001 1/20 0.30
ALOX15 P16050 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 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
SCHEMBL170589 0.69 HTR2C (0.38) MAOAMAOBFTOHTR2CNFKB1
SCHEMBL12677713 0.67 MAP4K4 (0.38) ALDH1A1
SCHEMBL13169664 0.66 PTPN1 (0.34) MAOAKDM4EALDH1A1HPGD
SCHEMBL4429415 0.66 PAX8 (0.48) MAOAMAOBFTOKDM4EALDH1A1
SCHEMBL1159418 0.65 IDO1 (0.55) KDM4EALDH1A1GAAHPGDNFKB1
SCHEMBL29740625 0.65 IDO1 (0.55) KDM4EALDH1A1GAAHPGDNFKB1
SCHEMBL4308113 0.65 KDM4E (0.38) KDM4EALDH1A1GAAHPGDKLK7
SCHEMBL30220316 0.64 KDM4E (0.40) KDM4EALDH1A1GAAHPGDKLK7
SCHEMBL27733417 0.64 IDO1 (0.53) KDM4EALDH1A1GAAHPGDNFKB1
SCHEMBL7069379 0.62 MAOA (0.45) MAOAMAOBFTOKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR MAOA 99/4885MAOB 93/4885FTO 2188/4885

“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.