SCHEMBL20138342

SCHEMBL20138342

ClCc1cccc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
BRD4 O60885 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DPP4 P27487 1/20 0.38
HTR1A P08908 2/20 0.36
PKM P14618 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL9664729 0.98 PARP1 (0.45) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL556764 0.82 PARP1 (0.51) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL7576839 0.81 PARP1 (0.50) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL763087 0.81 PARP1 (0.50) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL1647056 0.81 PARP1 (0.46) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL3823364 0.81 PARP1 (0.46) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL3068250 0.78 PARP1 (0.47) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL7856462 0.78 PARP1 (0.47) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL29907256 0.78 PARP1 (0.47) PARP1DRD4DRD3DRD2HTR2A
SCHEMBL23733959 0.77 GABRA1 (0.44) PARP1DRD4DRD3DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288933-B1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUND FOR RES DEV (US) 2021-10-06 EP disclosed
US-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-08-06 US disclosed
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2018-05-17 US disclosed
CN-1029961-C Benzimidazole derivatives, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
CN-1051355-A Benzimidizole derivatives, its production method and application thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-15 CN 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-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof PARK7, OPRK1, COMT PARP1 4771/4885DRD4 93/4885DRD3 135/4885
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, OPRK1, COMT PARP1 4771/4885DRD4 93/4885DRD3 135/4885

“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.