Sugi Predict

Sugi Predict / Compounds / SCHEMBL8997789

SCHEMBL8997789

SCHEMBL8997789

O=C(O)c1ccc(Cl)c(Cl)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ PTPRG P23470 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ SORT1 Q99523 1/20 0.39

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
SCHEMBL11801596 0.84 ALDH1A1 (0.48) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29041506 0.83 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL3940987 0.81 TSHR (0.47) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL750562 0.81 ALDH1A1 (0.38) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL8751491 0.81 KMT2A (0.50) TSHRALDH1A1CASP1CSNK2A1KDM4E
SCHEMBL432644 0.79 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29886586 0.79 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL23582080 0.79 CLCN2 (0.45) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL16713045 0.79 CSNK2A2 (0.45) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL478797 0.79 TSHR (0.44) TSHRALDH1A1TP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 — — US disclosed
CN-109983001-A 2, 5-disubstituted 3-methylpyrazine and 2,5, 6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors 锐新医药公司 2019-07-05 — — CN disclosed
EP-3490607-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sunovion Pharmaceuticals Inc. (US) 2019-06-05 — — EP disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 — — WO disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 — — WO disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 — — US disclosed
US-5514719-A Fungicidal phenylbenzamides RHONE-POULENC AGROCHIMIE (FR) 1996-05-07 — — 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 (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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB TSHR 4126/4885ALDH1A1 173/4885TP53 4493/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB TSHR 4126/4885ALDH1A1 173/4885TP53 4493/4885

“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.