SCHEMBL14333535

SCHEMBL14333535

Nc1ccc(-n2nc(I)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ SCN9A Q15858 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2677079 0.85 PDE5A (0.44) ADORA3SCN9AALDH1A1KMT2ANPSR1
SCHEMBL16259059 0.79 SCN9A (0.38) SCN9AALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL2548968 0.76 KHK (0.51) RORC
SCHEMBL10831975 0.71 MAPT (0.47) ADORA3ADORA2ASCN9AALDH1A1KMT2A
SCHEMBL9681327 0.70 KHK (0.47) MAPTHTR6KDM4E
SCHEMBL14333217 0.70 SCN9A (0.57) SCN9AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL28808920 0.70 ROCK1 (0.51) —
SCHEMBL27615253 0.70 CYP1A2 (0.38) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL25678127 0.69 ADORA3 (0.48) ADORA3ADORA2ASCN9AALDH1A1KMT2A
SCHEMBL27947242 0.68 KMT2A (0.39) KMT2ASMN1; SMN2LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 — — US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 — — US disclosed
EP-2739144-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Alzheimer's Institute of America, Inc. (US) 2014-06-11 — — EP disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — WO 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-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 ADORA3 922/4885ADORA2A 461/4885SCN9A 4736/4885

“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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