SCHEMBL5235917

SCHEMBL5235917

COc1cc(I)cc(OC)c1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CNKSR1 Q969H4 1/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ CYP1A1 P04798 3/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ ACHE P22303 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL28275876 0.78 ALDH1A1 (0.48) CYP3A4CYP1A2CYP1A1CYP1B1CA12
SCHEMBL6850895 0.76 MAPT (0.42) MAPTNPSR1POLBL3MBTL1CYP3A4
SCHEMBL11569140 0.76 POLB (0.32) MAPTNPSR1POLBL3MBTL1CYP3A4
SCHEMBL7818774 0.76 ALDH1A1 (0.53) MAPTNPSR1CYP1A2CYP1A1CYP1B1
SCHEMBL27743867 0.74 MAPT (0.38) MAPTNPSR1CYP3A4CYP1A2ACHE
SCHEMBL210358 0.72 ACHE (0.59) MAPTL3MBTL1CYP3A4CYP1A2CYP1A1
SCHEMBL5231249 0.72 RXFP1 (0.41) MAPTNPSR1CYP3A4ACHECA12
SCHEMBL5623782 0.71 ENPP2 (0.39) MAPTCYP3A4CNKSR1CA1CA2
SCHEMBL2388340 0.70 MAPT (0.46) MAPTNPSR1POLBL3MBTL1CYP3A4
SCHEMBL1458153 0.70 GAA (0.38) MAPTNPSR1CYP3A4ACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 — — EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 — — US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 — — US disclosed
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 — — US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 — — EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 — — US disclosed
WO-2003104213-A1 PREPARATION PROCESS OF BIPHENYLCARBOXYLIC ACID AMIDE DERIVATIVES KOWA CO., LTD. (JP) 2003-12-18 — — WO disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 — — US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 — — 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 (3 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH MAPT 4297/4885NPSR1 740/4885POLB 2903/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 MAPT 3926/4885NPSR1 363/4885POLB 1554/4885
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A MAPT 3568/4885NPSR1 2224/4885POLB 3149/4885

“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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