SCHEMBL15840650

SCHEMBL15840650

Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ HPGD P15428 2/20 0.72
▸ LMNA P02545 2/20 0.70
▸ MAPT P10636 5/20 0.69
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALOX12 P18054 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ THRB P10828 1/20 0.53
▸ TP53 P04637 2/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL19215377 0.85 ALDH1A1 (0.78) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL15840689 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL15840669 0.78 KMT2A (0.74) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL14096431 0.75 MAPT (1.00) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL15840800 0.75 KMT2A (1.00) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL15840642 0.74 KMT2A (0.71) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2751080 0.71 KMT2A (0.97) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL19215378 0.71 ALDH1A1 (0.63) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4067862 0.70 KMT2A (0.69) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4363844 0.69 MAPT (0.63) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 — — 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALDH1A1 4348/4885KDM4E 3370/4885CYP1A2 3985/4885

“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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