SCHEMBL15840800

SCHEMBL15840800

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 1.00
▸ ALOX12 P18054 3/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ ALDH1A1 P00352 9/20 0.62
▸ HPGD P15428 2/20 0.62
▸ LMNA P02545 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ HTT P42858 2/20 0.60
▸ MAPT P10636 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.57
▸ POLB P06746 2/20 0.54

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
SCHEMBL15840669 0.85 KMT2A (0.74) KMT2AALOX12NPSR1ALDH1A1HPGD
SCHEMBL15840642 0.83 KMT2A (0.71) KMT2AALOX12NPSR1ALDH1A1MAPT
SCHEMBL4067862 0.79 KMT2A (0.69) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL4067788 0.77 KMT2A (0.68) KMT2AALDH1A1HPGDLMNASMN1; SMN2
Bicarbonate SCHEMBL15226101 0.76 KMT2A (0.66) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL12508044 0.75 KMT2A (0.64) KMT2AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL15836640 0.75 ALDH1A1 (1.00) KMT2AALOX12ALDH1A1HPGDLMNA
SCHEMBL15840650 0.75 ALDH1A1 (1.00) KMT2AALOX12NPSR1ALDH1A1HPGD
SCHEMBL19090237 0.74 KMT2A (0.68) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL19215377 0.74 ALDH1A1 (0.78) KMT2AALOX12NPSR1ALDH1A1HPGD

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 3667/4885ALOX12 3344/4885NPSR1 3556/4885

“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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