SCHEMBL6226870

SCHEMBL6226870

CCC(C)c1ccccc1N=C=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MIF P14174 5/20 0.41
▸ POLB P06746 1/20 0.39

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
SCHEMBL11416333 0.85 TSHR (0.57) TSHRMIFGABRA1GABRB2NOS3
SCHEMBL18245733 0.85 TSHR (0.44) TSHRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL3836353 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL1022343 0.81 ALDH1A1 (0.47) TSHRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL11417172 0.80 GABRA1 (0.52) TSHRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL18245374 0.78 ALDH1A1 (0.39) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL11417964 0.76 GABRA1 (0.47) TSHRCYP1A2CYP3A4HPGDHTR2B
SCHEMBL8642547 0.76 TSHR (0.59) TSHRGABRA1GABRB2NOS3NOS1
SCHEMBL6889217 0.75 MIF (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL11416557 0.75 GABRA1 (0.46) TSHRMIFGABRA1GABRB2P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 — — US disclosed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 — — EP disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — 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-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole METAP1, ANPEP, METAP2 TSHR 936/4885ALDH1A1 3338/4885ABCB11 2626/4885

“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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