SCHEMBL6506932

SCHEMBL6506932

Cc1nc(-c2c(Cl)cccc2Cl)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
BRD4 O60885 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PARP1 P09874 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALPL P05186 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3R2 O00459 2/20 0.36

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
SCHEMBL6507632 0.88 SMN1; SMN2 (0.51) JAK2SMN1; SMN2BRD4RAB9ANPC1
SCHEMBL17069076 0.80 IDO1 (0.49) SMN1; SMN2BRD4NR1H2NR1H3RAB9A
SCHEMBL27498477 0.79 NR1H2 (0.59) SMN1; SMN2BRD4NR1H2NR1H3RAB9A
SCHEMBL6503377 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HDAC3HDAC6NCOR2BRD4
SCHEMBL17069075 0.75 ADORA2A (0.50) SMN1; SMN2BRD4NR1H2NR1H3RAB9A
SCHEMBL3462652 0.71 HDAC3 (0.44) SMN1; SMN2HDAC3HDAC6NCOR2BRD4
SCHEMBL4859334 0.71 NR1H2 (0.56) HDAC3HDAC6NCOR2NR1H2NR1H3
SCHEMBL13545717 0.70 NOTUM (0.52) HDAC3HDAC6NCOR2RAB9ANPC1
SCHEMBL26107873 0.70 HDAC3 (0.65) HDAC3HDAC6NCOR2BRD4NR1H2
SCHEMBL1436121 0.69 NR1H2 (0.61) SMN1; SMN2HDAC3HDAC6NCOR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009834-A1 Azole compounds, process for preparation of the same and use thereof SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2005-01-13 US disclosed
EP-1386915-A1 AZOLE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-02-04 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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof C1S, CYP4B1, CYP4X1 JAK2 4014/4885SMN1; SMN2 4061/4885HDAC3 1011/4885

“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.