SCHEMBL7217523

SCHEMBL7217523

CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KCNH2 Q12809 10/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL1983658 0.89 TSHR (0.32) LMNA
SCHEMBL11027655 0.83 SMN1; SMN2 (0.40) SMN1; SMN2KCNH2LMNAPOLBHDAC3
SCHEMBL15648671 0.82 BDKRB2 (0.36) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL15648819 0.82 BDKRB2 (0.36) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL11021373 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KCNH2LMNAPOLBHDAC3
SCHEMBL1452840 0.80 HTT (0.38) SMN1; SMN2KCNH2LMNAALDH1A1HPGD
SCHEMBL4738020 0.79 THRA (0.32) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL2721463 0.78 CYP1A2 (0.39) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL154543 0.78 TP53 (0.37) SMN1; SMN2LMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1096789 0.78 HTR7 (0.41) LMNAHDAC3HDAC1HDAC2HPGD

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
JP-10025284-A None JP disclosed
CN-108864173-B Process for converting substituted sodium arylsulfinates into aryltri-n-butyltin 天津师范大学 2020-07-21 CN disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2014022377-A1 MEMBRANES AND COATINGS MADE FROM MIXTURES INCLUDING IONIC LIQUIDS HAVING SILICON-BONDED HYDROLYZABLE GROUPS DOW CORNING CORPORATION (US) 2014-02-06 WO disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-6620940-B1 Heterocyclic nitrogen/sulfur compounds used as chemical intermediates for drugs such as 3-chloro-4-(furan-2-yl)-1,2,5 -thiadiazole ELI LILLY AND COMPANY 2003-09-16 US disclosed
US-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed
US-5770617-A Terbenzimidazoles useful as antifungal agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-23 US disclosed
US-5767142-A INHIBITION OF MAMMALIAN TUMOR CELL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-16 US disclosed
EP-0839140-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-05-06 EP disclosed
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed
JP-H1025284-A PRODUCTION OF 1,2,5-THIADIAZOLE DERIVATIVE TOSOH CORP 1998-01-27 JP disclosed
WO-1996036612-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1996-11-21 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-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 SMN1; SMN2 2829/4885KCNH2 3432/4885LMNA 3823/4885

“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.