SCHEMBL6720322

SCHEMBL6720322

CCc1ccc(Br)c(N(C)C(=N)Nc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
NLRP3 Q96P20 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6716829 0.88 ALDH1A1 (0.45) MAPTALDH1A1GAAHPGDALOX15
SCHEMBL6724459 0.85 MEN1 (0.45) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6717188 0.83 SIGMAR1 (0.45) MAPTALDH1A1GAAHPGDALOX15
SCHEMBL6727838 0.82 ALDH1A1 (0.50) MAPTALDH1A1GAAHPGDALOX15
SCHEMBL8470063 0.81 SIGMAR1 (0.47) MAPTALDH1A1GAAHPGDSIGMAR1
SCHEMBL8193997 0.81 HDAC3 (0.44) MAPTALDH1A1GAAHPGDALOX15
SCHEMBL6728458 0.80 SIGMAR1 (0.45) MAPTALDH1A1GAAHTTSIGMAR1
SCHEMBL6728347 0.79 SIGMAR1 (0.43) MAPTALDH1A1GAAHPGDALOX15
SCHEMBL6720673 0.79 SIGMAR1 (0.63) MAPTALDH1A1GAAHPGDHTT
Hydrochloric Acid SCHEMBL7208616 0.78 SIGMAR1 (0.44) MAPTALDH1A1GAAHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705100-B1 THERAPEUTIC SUBSTITUTED GUANIDINES CENES LTD (GB) 2003-07-30 EP claimed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US claimed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US claimed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP claimed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP claimed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 WO claimed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US disclosed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 (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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 MAPT 2121/4885ALDH1A1 869/4885GAA 2268/4885

“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.