SCHEMBL20952199

SCHEMBL20952199

COc1ccc(-n2c(C)nnc2SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ LMNA P02545 2/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ USP2 O75604 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ UBA2 Q9UBT2 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL19520573 0.96 KMT2A (0.62) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL20952220 0.93 POLB (0.67) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL19538809 0.86 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1NPSR1USP2
SCHEMBL24021619 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL17725786 0.82 TSHR (0.61) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL17725589 0.81 USP2 (0.60) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL23289826 0.81 TSHR (0.61) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL17725594 0.81 TSHR (0.61) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL17725602 0.81 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL17725609 0.81 TSHR (0.60) KMT2AMEN1ALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US claimed

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-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 KMT2A 4594/4885MEN1 1406/4885ALDH1A1 1917/4885

“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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