SCHEMBL6716804

SCHEMBL6716804

N=C(Nc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
STING1 Q86WV6 1/20 0.36
RAB9A P51151 4/20 0.36
IGF1R P08069 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP19A1 P11511 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 3/20 0.33

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
SCHEMBL6155027 0.87 KDM4E (0.34) RAB9AALDH1A1MAPTKDM4ELMNA
SCHEMBL6716894 0.85 TRPV1 (0.44) TRPV1RAB9AALDH1A1MAPTKDM4E
SCHEMBL6156272 0.85 GAA (0.48) STING1RAB9AALDH1A1MAPTKDM4E
Bromide SCHEMBL6154947 0.85 KDM4E (0.33) RAB9AALDH1A1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL8711873 0.84 TRPV1 (0.44) TRPV1RAB9AALDH1A1MAPTKDM4E
SCHEMBL6724295 0.84 TRPV1 (0.33) TRPV1
SCHEMBL6720829 0.83 RAB9A (0.43) RAB9AIGF1RALDH1A1MAPTKDM4E
SCHEMBL6720772 0.83 TRPV1 (0.44) TRPV1STING1RAB9AALDH1A1MAPT
SCHEMBL6728263 0.83 MAPT (0.40) RAB9AALDH1A1MAPTKDM4ELMNA
SCHEMBL6720912 0.83 HTR2C (0.42) TRPV1RAB9AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US 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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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 TRPV1 3082/4885STING1 2635/4885RAB9A 1426/4885

“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.