Sugi Predict

Sugi Predict / Compounds / SCHEMBL8955876

SCHEMBL8955876

SCHEMBL8955876

CC(C)(C)c1ccc(CCCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.52
▸ SIGMAR1 Q99720 4/20 0.46
▸ GPR84 Q9NQS5 2/20 0.45
▸ GRIA4 P48058 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SLC13A5 Q86YT5 2/20 0.43
▸ ESRRG P62508 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TYR P14679 1/20 0.42
▸ ESRRB O95718 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CNR1 P21554 1/20 0.41

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
SCHEMBL11285207 0.86 KCNH2 (0.58) KCNH2SIGMAR1GPR84GRIA4TSHR
SCHEMBL7456580 0.85 KCNH2 (0.59) KCNH2SIGMAR1GPR84GRIA4TSHR
SCHEMBL17023799 0.85 KCNH2 (0.61) KCNH2SIGMAR1GPR84GRIA4TSHR
SCHEMBL1204683 0.80 TSHR (0.48) KCNH2SIGMAR1TSHRSLC13A5TP53
SCHEMBL31573982 0.80 KCNH2 (0.67) KCNH2SIGMAR1GRIA4TSHRSLC13A5
SCHEMBL9860834 0.79 GFER (0.42) —
SCHEMBL547138 0.78 KCNH2 (0.53) KCNH2SIGMAR1GRIA4TSHRSLC13A5
SCHEMBL14838173 0.78 KCNH2 (0.53) KCNH2SIGMAR1GPR84GRIA4TSHR
SCHEMBL3636537 0.76 TAAR1 (0.61) KCNH2DAOCNR1
SCHEMBL7559765 0.76 KCNH2 (0.52) KCNH2SIGMAR1GPR84GRIA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 — — CN disclosed
US-11453663-B2 Substituted propanamides as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2022-09-27 — — US disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 — — CN disclosed
US-20220073507-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-03-10 — — US disclosed
CN-112351983-A Substituted propionamides as inhibitors of nucleases 马萨里克大学 2021-02-09 — — CN disclosed
EP-3556756-B1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2020-10-07 — — EP disclosed
EP-3556756-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES Masarykova univerzita (CZ) 2019-10-23 — — EP disclosed
CN-109232175-A A kind of preparation method of chloroethyl substituted aromatic compound 四川理工学院 2019-01-18 — — CN disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — US disclosed
US-5486533-A DIAZOLE OR TRIAZOLES WITH SILFIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-01-23 — — US disclosed
EP-0663904-A1 FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1995-07-26 — — EP disclosed
WO-1994008978-A1 FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1994-04-28 — — WO disclosed
US-4178327-A FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1979-12-11 — — US disclosed
US-4054733-A MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1977-10-18 — — US disclosed
US-3998895-A PREPARATION OF POLYCHLOROALKENYL AROMATIC COMPOUNDS UOP INC. (US) 1976-12-21 — — 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 (5 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 KCNH2 1103/4885SIGMAR1 1429/4885GPR84 39/4885
US-20220073507-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES DNASE1, RNASEH1, FEN1 KCNH2 3264/4885SIGMAR1 3672/4885GPR84 4547/4885
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO KCNH2 1413/4885SIGMAR1 4344/4885GPR84 4303/4885
US-11453663-B2 Substituted propanamides as inhibitors of nucleases DNASE1, RNASEH1, FEN1 KCNH2 3264/4885SIGMAR1 3672/4885GPR84 4547/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO KCNH2 1413/4885SIGMAR1 4344/4885GPR84 4303/4885

“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.