SCHEMBL5700319

SCHEMBL5700319

CC(=O)c1cnccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ HASPIN Q8TF76 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4C Q9H3R0 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 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
▸ KDM4D Q6B0I6 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.37

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
SCHEMBL16414446 0.85 KDM4C (0.44) TDP1SIRT3ROCK2ROCK1HASPIN
SCHEMBL2261756 0.81 KDM4C (0.53) TDP1SIRT3L3MBTL1KDM4CALDH1A1
SCHEMBL28317597 0.80 TDP1 (0.50) TDP1SIRT3ROCK2ROCK1HASPIN
SCHEMBL5700507 0.79 TDP1 (0.37) TDP1SIRT3HASPINL3MBTL1KDM4C
SCHEMBL15550884 0.79 SIRT3 (0.60) TDP1SIRT3ROCK1L3MBTL1KDM4C
SCHEMBL4730620 0.79 NUDT1 (0.46) TDP1SIRT3ROCK2ROCK1L3MBTL1
SCHEMBL5700424 0.79 TDP1 (0.42) TDP1SIRT3L3MBTL1LMNAKDM4C
SCHEMBL5700411 0.79 KDM4E (0.59) TDP1SIRT3L3MBTL1LMNAALDH1A1
SCHEMBL19838598 0.77 TDP1 (0.47) TDP1SIRT3ROCK2ROCK1HASPIN
SCHEMBL29496054 0.77 TDP1 (0.68) TDP1SIRT3ROCK2ROCK1HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 — — EP disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 — — EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 — — US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 — — US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 — — EP 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 (2 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 TDP1 4079/4885SIRT3 2940/4885ROCK2 288/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 TDP1 4088/4885SIRT3 1556/4885ROCK2 3874/4885

“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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