SCHEMBL1677191

SCHEMBL1677191

CCOC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(N)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA2 P47869 11/20 0.41
GABRB2 P47870 11/20 0.41
CHRNA7 P36544 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 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
SCHEMBL1677188 1.00 MAPT (0.43) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676670 0.89 NR1H2 (0.48) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676667 0.89 NR1H2 (0.48) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676847 0.87 MAPT (0.40) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676849 0.87 MAPT (0.40) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676324 0.86 GABRA2 (0.46) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1676323 0.86 GABRA2 (0.46) MAPTSMN1; SMN2NPC1POLBTSHR
SCHEMBL1481338 0.81 DRD2 (0.46) MAPTNPC1POLBRAB9A
SCHEMBL1481341 0.81 DRD2 (0.46) MAPTNPC1POLBRAB9A
Methane SCHEMBL1677089 0.80 DRD2 (0.46) MAPTSMN1; SMN2NPC1POLBRAB9A

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MAPT 3251/4885SMN1; SMN2 4417/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MAPT 3251/4885SMN1; SMN2 4417/4885NPC1 3228/4885

“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.