Sugi Predict

Sugi Predict / Compounds / SCHEMBL2245672

SCHEMBL2245672

SCHEMBL2245672

NCc1cccc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.50
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ MPO P05164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CYP2A13 Q16696 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL29364833 1.00 AHR (0.50) AHRCSNK2BCSNK2A1DAOCYP3A4
Hydrochloric Acid SCHEMBL3869136 0.98 AHR (0.48) AHRCSNK2BCSNK2A1DAOCYP3A4
SCHEMBL30776660 0.84 HTR2A (0.59) AHRDAOCYP3A4HTR6MPO
SCHEMBL31663380 0.84 AHR (0.47) AHRCSNK2BCSNK2A1DAOCYP3A4
SCHEMBL2239944 0.84 HTR2A (0.59) AHRDAOCYP3A4HTR6MPO
Hydrochloric Acid SCHEMBL28535208 0.82 CSNK2B (0.50) AHRCSNK2BCSNK2A1DAOCYP3A4
SCHEMBL28264220 0.81 MPO (0.47) AHRCSNK2BCSNK2A1DAOCYP3A4
SCHEMBL8655960 0.80 MPO (0.46) AHRDAOCYP3A4HTR6MPO
SCHEMBL38665028 0.79 DAO (0.50) AHRDAOCYP3A4CYP1A2CYP2D6
SCHEMBL8051283 0.79 AHR (0.50) AHRDAOCYP3A4HTR6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 — — US disclosed
WO-2025149623-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 — — WO disclosed
CN-118619819-A Synthesis method of aromatic aldehyde 南京理工大学 2024-09-10 — — CN disclosed
WO-2024099907-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-16 — — WO disclosed
US-RE49816-E1 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-01-30 — — US disclosed
CN-111253583-B Dilatant hybrid dynamic polymer and dilatant realization method thereof 厦门天策材料科技有限公司 2023-05-16 — — CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — US disclosed
US-11530220-B2 Substituted imidazo[1,5-a]pyrazines and [1,2,4]triazolo[4,3-a]pyrazines for the modulation of AhR IDEAYA BIOSCIENCES, INC. (US) 2022-12-20 — — US disclosed
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 — — US disclosed
CN-111040110-B Force-induced response dynamic polymer and application thereof 厦门天策材料科技有限公司 2022-03-11 — — CN disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 — — US disclosed
EP-1299393-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND THERAPEUTIC USE THEREOF Bristol-Myers Squibb Pharma Company (US) 2003-04-09 — — EP disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 — — CN disclosed
US-20020091134-A1 Novel 4-phenyl substituted tetrahydroiso quinolines therapeutic use thereof APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2002-07-11 — — US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 — — US disclosed
WO-2002004455-A2 4-PHENYL SUBSTITUTED TETRAHYDROISOQUINOLINES AND THERAPEUTIC USE THEREOF ALBANY MOLECULAR RESEARCH, INC (US) 2002-01-17 — — WO disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 — — US disclosed
CN-1323291-A Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 — — CN disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 — — EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 — — 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 (7 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A AHR 4186/4885CSNK2B 3945/4885CSNK2A1 3550/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB AHR 1801/4885CSNK2B 1046/4885CSNK2A1 1079/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A AHR 4186/4885CSNK2B 3945/4885CSNK2A1 3550/4885
US-11530220-B2 Substituted imidazo[1,5-a]pyrazines and [1,2,4]triazolo[4,3-a]pyrazines for the modulation of AhR AHR, ARNT, CYP1A1 AHR 1/4885CSNK2B 2317/4885CSNK2A1 1685/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD AHR 1250/4885CSNK2B 920/4885CSNK2A1 1025/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD AHR 139/4885CSNK2B 295/4885CSNK2A1 316/4885
US-20020091134-A1 Novel 4-phenyl substituted tetrahydroiso quinolines therapeutic use thereof HTR3B, GRIN2C, HTR2B AHR 1434/4885CSNK2B 271/4885CSNK2A1 553/4885

“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.