SCHEMBL4946780

SCHEMBL4946780

[NH]C(=O)C(Cl)(Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNN4 O15554 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KIF11 P52732 3/20 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
SCHEMBL7987418 0.80 CYP1A2 (0.58) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL2547243 0.80 CYP1A2 (0.65) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL6961047 0.78 CYP1A2 (0.56) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL8818467 0.78 CYP1A2 (0.56) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL3086830 0.78 CYP1A2 (0.56) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL8984631 0.76 CYP1A2 (0.54) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL4556174 0.76 MAPT (0.56) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL2843838 0.75 KCNN4 (0.52) CYP1A2MAPTKMT2AKCNN4CYP2C9
SCHEMBL2981609 0.74 CES1 (0.52) CYP1A2TSHRMAPTKMT2ACYP2C19
SCHEMBL6037489 0.73 CYP2C9 (0.56) CYP1A2MAPTKMT2AKCNN4CYP2C9

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US claimed
EP-1319642-B1 Method of Preparing a Halogenated Compound OTSUKA KAGAKU KK (JP) 2008-03-26 EP disclosed
EP-1132391-B1 PROCESS FOR THE PREPARATION OF 3-SULFONYLOXY-3-CEPHEM COMPOUNDS OTSUKA KAGAKU KK (JP) 2006-11-15 EP disclosed
EP-1447406-B1 3-Cephem derivative crystal OTSUKA KAGAKU KK (JP) 2006-08-09 EP disclosed
US-6887992-B2 3-cephem derivative crystal OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
EP-1447406-A1 3-Cephem derivative crystal OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2004-08-18 EP disclosed
EP-0976700-B1 PROCESS FOR HALOGENATING HYDROXYL GROUP OTSUKA KAGAKU KK (JP) 2004-07-28 EP disclosed
EP-1061082-B1 PROCESS FOR THE PREPARATION OF BETA-HYDROXY ESTERS OTSUKA KAGAKU KK (JP) 2004-07-14 EP disclosed
EP-1227100-B1 3-CEPHEM DERIVATIVE CRYSTAL AND METHOD FOR PREPARING THE SAME OTSUKA KAGAKU KK (JP) 2004-05-26 EP disclosed
US-20040073023-A1 3-cephem derivative crystal MORIYOSHI TAKASHI (JP) 2004-04-15 US disclosed
US-5196530-A Cyclization with reducing metal OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-23 US disclosed
EP-0529081-A1 HALOGENATED $g(b)-LACTAM COMPOUND AND PRODUCTION OF 3-HYDROXYCEPHEM DERIVATIVE THEREFROM OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
EP-0507124-A2 Process for preparing cephem derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-10-07 EP disclosed
EP-0503604-A2 Allenyl beta-lactam compounds and process for preparing same OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed
EP-0503603-A2 Process for preparing 2-exo-methylenepenam derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed
EP-0503597-A2 Penam derivatives and processes for producing the same OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed
US-5142040-A Oxidizing inpresence of oxygen with 3-halomethylcephem derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
EP-0445821-A1 Process for preparing a 3-formylcephem derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-09-11 EP disclosed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 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-20040073023-A1 3-cephem derivative crystal CRYAA, CRYAB, PCCA CYP1A2 939/4885TSHR 4751/4885MAPT 662/4885

“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.