SCHEMBL5117429

SCHEMBL5117429

ClCc1nnc(-c2ccc(Br)cc2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 2/20 0.68
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NOTUM Q6P988 3/20 0.60
DGAT1 O75907 1/20 0.55
PTGS2 P35354 1/20 0.52
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.50
PTK2 Q05397 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL2640766 0.83 ALDH1A1 (0.70) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL30889117 0.83 NPC1 (0.63) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL30889116 0.83 NPC1 (0.63) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL3423891 0.81 TSHR (0.73) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL28494999 0.81 NOTUM (0.68) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL25916050 0.81 ALDH1A1 (0.68) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL8589773 0.81 NPC1 (0.61) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL5124689 0.81 ALDH1A1 (0.68) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL2640701 0.81 ALDH1A1 (0.68) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL485159 0.81 ALDH1A1 (1.00) ALDH1A1LMNANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF GUIZHOU UNIVERSITY (CN) 2024-09-12 US disclosed
WO-2024174317-A1 N-PHENYLIMINE-CONTAINING DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 贵州大学 2024-08-29 WO disclosed
WO-2023231948-A1 ISR INHIBITORS, METHOD FOR PREPARING SAME, AND USE THEREOF 中国药科大学 2023-12-07 WO disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 CN disclosed
CN-116731003-A N-phenylimine-containing derivative, and preparation method and application thereof 贵州大学 2023-09-12 CN disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
EP-2822956-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-01-14 EP disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
EP-1758910-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-03-07 EP disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2005121152-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121152-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-12-22 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 (4 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-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF PNMT, NNMT, PAH ALDH1A1 780/4885LMNA 2548/4885NPC1 1387/4885
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 ALDH1A1 4878/4885LMNA 2486/4885NPC1 4872/4885
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR2, AVPR1B ALDH1A1 4211/4885LMNA 3521/4885NPC1 2201/4885
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R ALDH1A1 3792/4885LMNA 2692/4885NPC1 3520/4885

“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.