SCHEMBL2874856

SCHEMBL2874856

NC(=S)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ AHR P35869 1/20 0.58
▸ GPR84 Q9NQS5 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ HTR6 P50406 3/20 0.56
▸ HTR1D P28221 2/20 0.56
▸ HTR1B P28222 2/20 0.56
▸ HTR2A P28223 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ MPO P05164 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP1A2 P05177 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
SCHEMBL9161488 0.84 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL29376364 0.82 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL40822 0.82 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3262116 0.82 MAPT (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6873654 0.82 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4598405 0.81 MAPT (0.66) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30295582 0.81 MAPT (0.66) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL837741 0.79 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
Indole-3-Acetic Acid SCHEMBL2269865 0.79 MAPT (0.69) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL874981 0.79 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801961-B Pyrrolidinone, pyrrolidine-2, 5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE INC 2014-09-24 — — CN disclosed
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 — — EP disclosed
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 — — EP disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 — — US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 — — US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 — — US disclosed
CN-101801961-A Pyrrolidone, tetramethyleneimine-2,5-diketone, tetramethyleneimine and thiosuccimide derivative, composition and treatment method for cancer ARQULE INC 2010-08-11 — — CN disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 — — US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 — — US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 — — US disclosed
EP-2170870-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-07 — — EP disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 — — WO disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 — — WO 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-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer PYCR1, DHPS, TYMP MEN1 2360/4885KMT2A 2078/4885MAPT 3559/4885

“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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