SCHEMBL15840642

SCHEMBL15840642

O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.71
▸ ALDH1A1 P00352 7/20 0.68
▸ MEN1 O00255 1/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ RAB9A P51151 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ MAPT P10636 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ GAA P10253 1/20 0.58

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
SCHEMBL15840800 0.83 KMT2A (1.00) KMT2AALDH1A1MEN1ALOX12NPSR1
SCHEMBL15840669 0.81 KMT2A (0.74) KMT2AALDH1A1MEN1ALOX12NPSR1
SCHEMBL10114911 0.80 KMT2A (0.58) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL14424378 0.80 KMT2A (0.58) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL15840597 0.79 ALDH1A1 (1.00) KMT2AALDH1A1MEN1ALOX12MAPT
SCHEMBL14424790 0.78 LMNA (0.62) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL10114550 0.78 LMNA (0.62) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL15836689 0.78 KMT2A (0.75) KMT2AALDH1A1MEN1ALOX12NPSR1
SCHEMBL4067862 0.78 KMT2A (0.69) KMT2AALDH1A1MEN1KDM4ECYP1A2
SCHEMBL15840635 0.78 RAB9A (0.73) KMT2AALDH1A1MEN1ALOX12NPSR1

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 KMT2A 3667/4885ALDH1A1 4348/4885MEN1 3121/4885

“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.

Send feedback