Sugi Predict

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SCHEMBL6700295

SCHEMBL6700295

O=c1c2ccc(Cl)cc2nc2n1CC(CS)S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ EGFR P00533 4/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6804059 1.00 KMT2A (0.40) KMT2AMEN1MAPK1CYP1A1CYP1A2
SCHEMBL6804062 1.00 KMT2A (0.40) KMT2AMEN1MAPK1CYP1A1CYP1A2
SCHEMBL7017658 0.90 CYP1A1 (0.39) KMT2AMEN1MAPK1CYP1A1CYP1A2
SCHEMBL6702099 0.88 CYP1A1 (0.39) KMT2AMEN1MAPK1CYP1A1CYP1A2
SCHEMBL7000926 0.88 CYP1A1 (0.39) KMT2AMEN1MAPK1CYP1A1CYP1A2
SCHEMBL6804691 0.82 ALDH1A1 (0.49) KMT2AMEN1MAPK1CYP1A2TSHR
SCHEMBL6701095 0.82 ALDH1A1 (0.49) KMT2AMEN1MAPK1CYP1A2TSHR
SCHEMBL6804689 0.82 ALDH1A1 (0.49) KMT2AMEN1MAPK1CYP1A2TSHR
SCHEMBL7016857 0.77 MAPK1 (0.41) MAPK1CYP1A1CYP1B1SMN1; SMN2GAA
SCHEMBL7018731 0.74 MAPT (0.51) KMT2AMEN1CYP1A2SMN1; SMN2HTT

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-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 — — US claimed
US-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 — — US disclosed
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 — — 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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors TPSB2, MMP25, MMP15 KMT2A 1485/4885MEN1 4607/4885MAPK1 1606/4885
US-20040259192-A1 Method for cleaving the human growth hormone gh MMP3, MMP25, MMP17 KMT2A 3292/4885MEN1 412/4885MAPK1 2507/4885

“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.