Sugi Predict

Sugi Predict / Compounds / SCHEMBL44664

SCHEMBL44664

SCHEMBL44664

C=CC[N]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 2/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ PLAU P00749 1/20 0.32

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
SCHEMBL8158593 1.00 ALDH1A1 (0.39) ALDH1A1TSHRRAB9ASMN1; SMN2CYP2C19
SCHEMBL11767820 0.82 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C19CYP1A2GAA
SCHEMBL7718086 0.76 ALDH1A1 (0.48) ALDH1A1TSHRRAB9ACYP2C19CYP1A2
SCHEMBL10432560 0.76 — —
SCHEMBL3478608 0.76 CYP3A4 (0.40) ALDH1A1TSHRCYP1A2CYP2C9SLC22A2
SCHEMBL7718084 0.76 ALDH1A1 (0.48) ALDH1A1TSHRRAB9ACYP2C19CYP1A2
SCHEMBL8517746 0.75 ALDH1A1 (0.39) ALDH1A1RAB9ACYP2D6MIFHTR3E
SCHEMBL8083518 0.72 MIF (0.40) ALDH1A1TSHRRAB9ACYP2C19CYP1A2
SCHEMBL10443511 0.70 ALDH1A1 (0.35) ALDH1A1MIF
SCHEMBL7775723 0.70 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2CYP2C19CYP2D6

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 1642 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348398-A1 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2023-11-02 — — US claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP claimed
US-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2023-07-06 — — US claimed
EP-4136077-A1 BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-02-22 — — EP claimed
CN-115485266-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-16 — — CN claimed
US-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation KAOHSIUNG MEDICAL UNIVERSITY (TW) 2022-05-31 — — US claimed
CN-113912670-A Angiotensin converting enzyme 2 inhibitor, application thereof and anti-coronavirus infection drug 深圳市小分子新药创新中心有限公司 2022-01-11 — — CN claimed
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF EBETINO FRANK HALLOCK (US) 2021-12-02 — — US claimed
WO-2021209484-A1 BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-10-21 — — WO claimed
US-20210322411-A1 ANALOGS OF 3,5-DIHYDROXYPENTANOATE FOR BONE FORMATION KAOHSIUNG MEDICAL UNIVERSITY (TW) 2021-10-21 — — US claimed
US-4116875-A Multifunctional substituted triazine functional fluid additives and compositions containing same MOBIL OIL CORPORATION (US) 1978-09-26 — — US claimed
US-4115378-A TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 — — US claimed
US-4113725-A PYRIMIDINE-PYRROLIDONE COMPOUND, DETERGENTS, ANTIOXIDANTS MOBIL OIL CORPORATION (US) 1978-09-12 — — US claimed
US-4074050-A COLOR FORMER HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 — — US claimed
US-4073614-A Mixture of benzoxazines and benzodioxanes which may be used as color formers HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 — — US claimed
US-4056629-A HYPERURECEMIA HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 — — US claimed
US-4005069-A DISPERSE DYES; POLYESTERS, POLYAMIDES, CELLULOSE ACETATE-TRIACETATE SANDOZ LTD. (CH) 1977-01-25 — — US claimed
US-3933811-A N-aminomethyl-2-amino(and 2-amino-methyl)-2-(2-quinolyl)-thioacetamides SMITHKLINE CORPORATION (US) 1976-01-20 — — US claimed
US-3932641-A THIOACETAMIDES SMITHKLINE CORPORATION (US) 1976-01-13 — — US claimed
US-3931162-A N-Aminomethyl heterocyclic thioacetamides SMITHKLINE CORPORATION (US) 1976-01-06 — — US claimed

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-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR EMG1, TRDMT1, BCDIN3D ALDH1A1 2647/4885TSHR 3445/4885RAB9A 2761/4885
US-20230348398-A1 Benzimidazole derivatives HRH4, H1-4, CYP3A4 ALDH1A1 169/4885TSHR 388/4885RAB9A 3480/4885
US-11344548-B2 Analogs of 3,5-dihydroxypentanoate for bone formation CYP24A1, CYP27B1, CYP2R1 ALDH1A1 1047/4885TSHR 3028/4885RAB9A 2049/4885
US-20210322411-A1 ANALOGS OF 3,5-DIHYDROXYPENTANOATE FOR BONE FORMATION CYP24A1, CYP27B1, CYP2R1 ALDH1A1 1047/4885TSHR 3028/4885RAB9A 2049/4885
US-20210369849-A1 BONE TARGETED ANTIMICROBIAL OXAZOLIDINONE RELATED COMPOUNDS, FORMULATIONS THEREOF, AND USES THEREOF SOST, BPGM, PTMS ALDH1A1 3694/4885TSHR 3827/4885RAB9A 825/4885

“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.