Sugi Predict

Sugi Predict / Compounds / SCHEMBL6720712

SCHEMBL6720712

SCHEMBL6720712

CN(C(=N)Nc1ccc2c3c(cccc13)C=C2)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.37
▸ SIGMAR1 Q99720 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MC5R P33032 1/20 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
SCHEMBL6719231 0.86 MAPT (0.33) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6728170 0.86 DOT1L (0.40) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6728496 0.84 TRPV1 (0.33) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6721175 0.84 KMT2A (0.41) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6727580 0.83 GAA (0.32) GAALMNA
SCHEMBL6717107 0.83 SIGMAR1 (0.42) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6724111 0.82 NPC1 (0.40) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6719870 0.82 SCN2A (0.35) MEN1KMT2A
SCHEMBL6720784 0.82 RAB9A (0.34) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6724071 0.82 ALDH1A1 (0.37) RAB9ANPC1KDM4EMAPTALDH1A1

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 7 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
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

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 RAB9A 1426/4885NPC1 729/4885KDM4E 4800/4885

“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.