SCHEMBL5000424

SCHEMBL5000424

[CH2]C(CCC)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7465811 0.86 LMNA (0.43) TP53LMNAHTT
SCHEMBL16951674 0.85 TP53 (0.37) TP53LMNAHTTPOLBTHRB
SCHEMBL5000481 0.85 TP53 (0.52) TP53LMNAHTTMEN1KMT2A
SCHEMBL23031605 0.81 TP53 (0.52) TP53LMNAHTT
SCHEMBL20365885 0.79 TP53 (0.55) TP53LMNAHTTMEN1KMT2A
SCHEMBL18243981 0.78 LMNA (0.48) TP53LMNAHTTMEN1KMT2A
SCHEMBL21725453 0.78 LMNA (0.48) TP53LMNAHTT
SCHEMBL9363112 0.78 TP53 (0.48) TP53LMNAHTTMEN1KMT2A
SCHEMBL17226354 0.78 TP53 (0.48) TP53LMNAHTTMEN1KMT2A
SCHEMBL27671799 0.78 LMNA (0.48) TP53LMNAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US disclosed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO disclosed
EP-1007031-A4 4-CYANO-4-DEFORMYLSORDARIN DERIVATIVES MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1007031-A1 4-CYANO-4-DEFORMYLSORDARIN DERIVATIVES Merck & Co., Inc. (US) 2000-06-14 EP disclosed
WO-1999009974-A1 4-CYANO-4-DEFORMYLSORDARIN DERIVATIVES MERCK & CO., INC. (US) 1999-03-04 WO disclosed
EP-0873307-A1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1997024319-A1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 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 (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-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA TP53 70/4885LMNA 1247/4885HTT 2600/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 TP53 968/4885LMNA 2850/4885HTT 1317/4885

“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.