SCHEMBL646758

SCHEMBL646758

Cn1nnc(-c2ccc(CBr)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27679605 0.86 RAB9A (0.44) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13846211 0.84 KMT2A (0.60) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL7018046 0.82 KMT2A (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16298846 0.82 HDAC6 (0.49) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL7471122 0.82 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL19771902 0.81 KMT2A (0.47) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3541038 0.81 LMNA (0.65) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL23850221 0.80 RAB9A (0.42) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2611131 0.79 LMNA (0.49) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL19771915 0.79 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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
US-20250026778-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR TIUMBIO CO., LTD. (KR) 2025-01-23 US disclosed
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 WO disclosed
EP-0844825-B1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2002-11-27 EP disclosed
US-6214845-B1 AGRICULTURE FMC CORPORATION 2001-04-10 US disclosed
US-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US disclosed
EP-0844825-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2000-04-05 EP disclosed
US-6030987-A Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or pyridyl)methyl]piperidines FMC CORPORATION (US) 2000-02-29 US disclosed
EP-0844825-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1998-06-03 EP disclosed
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
WO-1996036228-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-11-21 WO disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 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-20250026778-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR LGALS3, LGALS1, LGALS3BP RAB9A 2154/4885SMN1; SMN2 4158/4885NPC1 783/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 RAB9A 15/4885SMN1; SMN2 1753/4885NPC1 2067/4885

“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.