SCHEMBL1729400

SCHEMBL1729400

NCc1nc2ccc(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.61
AXL P30530 1/20 0.61
UBE2T Q9NPD8 1/20 0.58
ASIC3 Q9UHC3 1/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.51
APP P05067 6/20 0.51
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ILK Q13418 2/20 0.46

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
SCHEMBL5968511 0.86 GFER (0.57) GFERAXLUBE2TASIC3ALDH1A1
SCHEMBL30209148 0.86 LOXL2 (0.65) GFERAXLUBE2TASIC3ALDH1A1
SCHEMBL4583713 0.86 LOXL2 (0.65) GFERAXLUBE2TASIC3ALDH1A1
Hydrochloric Acid SCHEMBL5968549 0.85 GFER (0.56) GFERAXLUBE2TASIC3ALDH1A1
SCHEMBL8465212 0.82 GFER (0.56) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL7222770 0.82 GFER (0.56) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL6630285 0.82 NPC1 (0.63) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL7547176 0.82 GFER (0.56) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL3251161 0.80 UBE2T (0.59) UBE2TASIC3ALDH1A1MAPTKDM4E
SCHEMBL3248623 0.79 HTT (0.61) UBE2TASIC3ALDH1A1MAPTKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440970-B1 Benzenesulfonic acid salt of 1-(6-halogeno-2-benzothiazolyl)ethylamine IHARA CHEMICAL IND CO (JP) 2011-11-30 EP disclosed
EP-1188752-B1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2006-11-29 EP disclosed
EP-1026163-B1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF IHARA CHEMICAL IND CO (JP) 2006-03-22 EP disclosed
EP-1440970-A1 Process for producing substituted alkylamines or salts thereof IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2004-07-28 EP disclosed
US-6608207-B2 Converting an alkali metal salt of a 2-aminothiophenol to the free base, reacting with an amino acid-N-carboxyanhydride of given formula to form a 2-(2-aminoalkyl)benzothiazole of given formula in high yield; drug, agrochemical intermediate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-08-19 US disclosed
US-20030028032-A1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-06 US disclosed
EP-1188752-A1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-03-20 EP disclosed
US-6197969-B1 REACTING METAL SALT OF 2-AMINOTHIOPHENOL WITH AN AMINO ACID-N-CARBOXYLIC ANHYDRIDE; CYCLIZATION IN ACID IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-03-06 US disclosed
EP-1026163-A1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-09 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 (1 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-20030028032-A1 PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE NAT1, CYP4A11, CYP2B6 GFER 878/4885AXL 2940/4885UBE2T 1706/4885

“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.