SCHEMBL8931368

SCHEMBL8931368

C=C1Nc2ccccc2C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 12/20 0.36
▸ IDO1 P14902 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ EGFR P00533 2/20 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
SCHEMBL8119431 0.85 HTR5A (0.34) HTR5AIDO1MEN1GAAMAPT
SCHEMBL14030433 0.77 IDO1 (0.46) IDO1MEN1GAAMAPTKMT2A
SCHEMBL1879473 0.74 HTR5A (0.43) HTR5AIDO1ALDH1A1EGFR
SCHEMBL15867657 0.70 HTR5A (0.38) HTR5AIDO1GAAMAPTEGFR
SCHEMBL29167137 0.69 HTR5A (0.39) HTR5AIDO1ALDH1A1EGFR
SCHEMBL15723614 0.69 HTR5A (0.36) HTR5AIDO1MEN1MAPTKMT2A
SCHEMBL25758588 0.69 HTR5A (0.36) HTR5AIDO1MEN1MAPTKMT2A
SCHEMBL15867658 0.69 TSHR (0.36) HTR5AALDH1A1
SCHEMBL15867655 0.67 HTR5A (0.32) HTR5AALDH1A1
SCHEMBL12900944 0.67 HTR5A (0.34) HTR5AIDO1

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-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 — — US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 — — 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP HTR5A 2979/4885IDO1 1108/4885MEN1 4459/4885

“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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