SCHEMBL2579028

SCHEMBL2579028

O=C(Cl)c1cnccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ NUDT1 P36639 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36

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
SCHEMBL724581 0.83 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1SIRT3HTT
SCHEMBL30316868 0.81 KDM4C (0.53) ALDH1A1TDP1SIRT3HTTL3MBTL1
SCHEMBL229353 0.81 KDM4C (0.53) ALDH1A1TDP1SIRT3HTTL3MBTL1
SCHEMBL2265522 0.80 KDM4C (0.47) ALDH1A1ALOX15TDP1SIRT3ROCK2
SCHEMBL1135627 0.79 SIRT3 (0.60) ALDH1A1TDP1SIRT3HTTROCK1
SCHEMBL30849093 0.79 TDP1 (0.46) ALDH1A1TDP1SIRT3HTTROCK2
SCHEMBL16414200 0.79 TDP1 (0.46) ALDH1A1TDP1SIRT3HTTROCK2
SCHEMBL3731616 0.79 TDP1 (0.42) ALDH1A1ALOX15TDP1SIRT3HTT
SCHEMBL587010 0.77 ROCK2 (0.58) ALDH1A1TDP1SIRT3ROCK2ROCK1
SCHEMBL30465597 0.77 ROCK2 (0.58) ALDH1A1TDP1SIRT3ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088102-A A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application 罗欣药业(上海)有限公司 2019-08-02 — — CN disclosed
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 — — EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 — — US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 — — 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ALDH1A1 582/4885ALOX15 86/4885TDP1 3034/4885

“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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