SCHEMBL6132279

SCHEMBL6132279

COc1c(Cl)cccc1-c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
MAOB P27338 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
CYP2A6 P11509 1/20 0.41
APP P05067 1/20 0.40
MAPT P10636 1/20 0.39
PLA2G7 Q13093 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL12999509 0.84 RAB9A (0.46) MMEMAOBKDM4ENPC1RAB9A
SCHEMBL27907980 0.83 CYP2A6 (0.61) MMEKDM4ENPC1RAB9APKM
SCHEMBL25703742 0.82 ABL1 (0.49) MMEKDM4ENPC1RAB9APKM
SCHEMBL3786304 0.81 FYN (0.42) APPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28222892 0.80 CYP19A1 (0.53) KDM4ENPC1RAB9AMAPTTUBB4A
SCHEMBL28036688 0.79 CA1 (0.43) KDM4EAPPMAPTTUBB4ATUBB
SCHEMBL1337085 0.78 CYP2A6 (0.65) MAOBKDM4ENPC1RAB9ACYP2A6
SCHEMBL7143579 0.77 CYP2A6 (0.62) MAOBKDM4ENPC1RAB9ACYP2A6
SCHEMBL7626649 0.75 SLC6A4 (0.42) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL2994341 0.75 CNR2 (0.50) MAOBCYP2A6PLA2G7TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 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-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F MME 2198/4885MAOB 953/4885KDM4E 1800/4885

“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.