SCHEMBL12374516

SCHEMBL12374516

CC(C)Nc1ccc(SNc2ccc(Cl)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 3/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SERPINE1 P05121 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL10800720 0.82 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL28849 0.79 LMNA (0.74) MAPTLMNAALDH1A1HTTTP53
SCHEMBL31384417 0.73 MAPT (0.67) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL333291 0.73 MAPT (0.67) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12374819 0.73 CCR9 (0.47) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11397173 0.72 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2TP53
Ethane SCHEMBL11534058 0.72 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2HTT
Ammonia Solution, Strong SCHEMBL28210514 0.72 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL11936845 0.71 CCR9 (0.49) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL11638712 0.71 MEN1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2HTT

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-7999109-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 — — 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 MAPT 2968/4885LMNA 3548/4885ALDH1A1 2607/4885

“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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