SCHEMBL15836639

SCHEMBL15836639

CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ MAPT P10636 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ POLB P06746 4/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ GAA P10253 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ HTT P42858 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HPGD P15428 2/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RECQL P46063 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MCL1 Q07820 1/20 0.56

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
SCHEMBL15836668 0.90 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL15836660 0.82 MAPT (0.70) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL15836674 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL15836666 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APOLBMEN1GAA
SCHEMBL21772385 0.80 MEN1 (0.81) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL20670845 0.80 MEN1 (0.81) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL16994223 0.78 MAPT (1.00) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL20657306 0.75 POLB (0.64) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL20669403 0.75 POLB (0.64) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL15836649 0.74 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTLMNAPOLB

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 2 patents. 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
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 4348/4885KMT2A 3667/4885MAPT 1076/4885

“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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