SCHEMBL868062

SCHEMBL868062

CNC1=C(Br)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAPT P10636 6/20 0.55
MAPK1 P28482 4/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 1/20 0.55
MAOB P27338 1/20 0.55
HTT P42858 1/20 0.55
STAT3 P40763 2/20 0.49
P4HB P07237 1/20 0.49
ELANE P08246 7/20 0.46
CTSG P08311 6/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RECQL P46063 4/20 0.46

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
SCHEMBL10067750 0.84 MAOA (0.56) MAOAMAPTMAPK1TSHRALDH1A1
SCHEMBL10037433 0.83 MAOA (0.51) MAOAMAPTMAPK1TSHRALDH1A1
SCHEMBL869119 0.81 MAOA (0.56) MAOAMAPTMAPK1TSHRALDH1A1
SCHEMBL10037432 0.76 MAOA (0.46) MAOAMAPTMAPK1TSHRALDH1A1
SCHEMBL11803308 0.75 MAPT (0.71) MAOAMAPTMAPK1TSHRALDH1A1
SCHEMBL868107 0.74 MAOA (0.56) MAOAMAPTMAPK1TSHRALDH1A1
Anthrarufin SCHEMBL187843 0.74 MAOA (1.00) MAOAMAPTMAPK1TSHRALDH1A1
Anthrarufin SCHEMBL29363946 0.74 MAOA (1.00) MAOAMAPTMAPK1TSHRALDH1A1
Anthrarufin SCHEMBL29874705 0.74 MAOA (1.00) MAOAMAPTMAPK1TSHRALDH1A1
Danthron SCHEMBL28137084 0.73 MAPT (0.91) MAOAMAPTMAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAOA 1290/4885MAPT 4425/4885MAPK1 1962/4885

“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.