Sugi Predict

Sugi Predict / Compounds / SCHEMBL8904993

SCHEMBL8904993

SCHEMBL8904993

C[Si](C)(C)Oc1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TP53 P04637 1/20 0.53
▸ MAOB P27338 2/20 0.52
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ APP P05067 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ ATM Q13315 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
SCHEMBL1099831 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15375266 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL28464024 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL3901324 0.84 LMNA (0.38) ALDH1A1CYP3A4TP53MAOBTSHR
SCHEMBL30379190 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL3767074 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL9260540 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL10884511 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL356737 0.80 CYP3A4 (0.52) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL1322780 0.79 CYP3A4 (0.50) ALDH1A1CYP3A4TP53MAOBCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651723-A Synthetic method, intermediate and application of 3- (3-hydroxyphenyl) -1, 1-dimethylurea 浙江海昇药业股份有限公司 2021-11-16 — — CN claimed
US-9133185-B2 Heteroaryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-15 — — US claimed
US-20150158858-A1 HETEROARYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — US claimed
CN-110099974-B Composition for forming protective layer on substrate 日产化学株式会社 2022-02-25 — — CN disclosed
CN-111423813-B Composition for forming release layer and release layer 日产化学工业株式会社 2021-11-23 — — CN disclosed
CN-113651723-A Synthetic method, intermediate and application of 3- (3-hydroxyphenyl) -1, 1-dimethylurea 浙江海昇药业股份有限公司 2021-11-16 — — CN disclosed
CN-107406675-B Composition for forming release layer and release layer 日产化学工业株式会社 2020-11-06 — — CN disclosed
CN-111423813-A Composition for forming release layer and release layer 日产化学工业株式会社 2020-07-17 — — CN disclosed
EP-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 — — EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 — — EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 — — EP disclosed
US-20140155427-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-05 — — US disclosed
US-20140155427-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-05 — — US disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 — — US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 — — EP disclosed
US-4946990-A CHEMICAL INTERMEDIATE FOR THE PRODUCTION OF POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1990-08-07 — — US disclosed
US-4886902-A HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 — — US disclosed
US-4870198-A SILYLATED ALCOHOL OR CARBOXYL GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 — — US disclosed
EP-0307763-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1989-03-22 — — EP disclosed
EP-0307756-A2 Process for the preparation of isocyanates and their use in the preparation of polyisocyanates containing ester groups, and some polyisocyanates containing these ester groups BAYER AG (DE) 1989-03-22 — — EP 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-20140155427-A1 NOVEL COMPOUNDS CHRM3, PDE4A, PDE3A ALDH1A1 489/4885CYP3A4 229/4885TP53 4669/4885
US-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A ALDH1A1 608/4885CYP3A4 72/4885TP53 4571/4885

“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.