SCHEMBL10300799

SCHEMBL10300799

N#Cc1cc(F)cc2c1NCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ PNMT P11086 2/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23832894 0.89 KDM4E (0.36) PARP1HTR6ALDH1A1KDM4EMAPT
SCHEMBL30054287 0.78 MEN1 (0.44) PARP1PARP10GRM5ALDH1A1MAPT
SCHEMBL3345163 0.78 PARP10 (0.39) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL2261586 0.76 PARP10 (0.39) PARP1PARP10HTR2AHTR2CGRM5
SCHEMBL23846769 0.74 FABP6 (0.40) GRM5ALDH1A1MAPTHSD17B10NOTUM
SCHEMBL30056728 0.74 FABP6 (0.40) GRM5ALDH1A1MAPTHSD17B10NOTUM
SCHEMBL24457969 0.73 PARP10 (0.37) PARP1PARP10HTR2AHTR2CGRM5
SCHEMBL16593595 0.73 PARP10 (0.37) PARP1PARP10GRM5
SCHEMBL30054700 0.71 — —
SCHEMBL30054908 0.71 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDNPSR1

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-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 — — US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 — — 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-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 PARP1 2417/4885PARP10 1961/4885HTR2A 858/4885

“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.

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