SCHEMBL3204262

SCHEMBL3204262

Cc1cc(N)c(C=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 11/20 0.41
ERN1 O75460 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
CD44 P16070 1/20 0.37
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL8444257 0.88 TSHR (0.52) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL21130164 0.84 TSHR (0.37) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL3185653 0.83 CYP3A4 (0.52) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL24576666 0.82 ALDH1A1 (0.35) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL31028601 0.82 PRKDC (0.38) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL19269479 0.82 TSHR (0.41) TSHRCYP3A4MAPK1ALDH1A1ERN1
SCHEMBL30600409 0.81 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1ERN1SMN1; SMN2
SCHEMBL8024070 0.81 TDP1 (0.40) TSHRALDH1A1ERN1TDP1KDM4E
SCHEMBL446933 0.81 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1ERN1SMN1; SMN2
SCHEMBL24190727 0.79 ALDH1A1 (0.59) TSHRCYP3A4ALDH1A1ERN1SMN1; SMN2

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TSHR 412/4885CYP3A4 868/4885MAPK1 2132/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TSHR 412/4885CYP3A4 868/4885MAPK1 2132/4885

“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.