SCHEMBL1831591

SCHEMBL1831591

CC=C(N)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ PKM P14618 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ GAA P10253 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL438214 0.76 RAB9A (0.70) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL29399796 0.76 RAB9A (0.61) NPC1RAB9APKMNPSR1GAA
SCHEMBL10793724 0.76 RAB9A (0.59) NPC1RAB9APKMNPSR1GAA
SCHEMBL2226467 0.76 RAB9A (0.59) NPC1RAB9APKMNPSR1GAA
SCHEMBL525427 0.76 RAB9A (0.61) NPC1RAB9APKMNPSR1GAA
SCHEMBL1185009 0.76 NPC1 (0.63) NPC1RAB9APKMNPSR1GAA
SCHEMBL2682040 0.75 RAB9A (0.71) NPC1RAB9APKMNPSR1GAA
SCHEMBL11318736 0.74 RAB9A (0.59) NPC1RAB9APKMNPSR1GAA
Hydrochloric Acid SCHEMBL31091390 0.74 RAB9A (0.59) NPC1RAB9APKMNPSR1GAA
SCHEMBL22839376 0.74 NPC1 (0.52) NPC1RAB9APKMNPSR1GAA

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
EP-1753457-B1 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RES & DEV (IL) 2016-08-10 — — EP disclosed
EP-2322173-B1 Cationic bacteriochlorophyll derivatives and uses thereof YEDA RES & DEV (IL) 2016-08-10 — — EP disclosed
US-8207154-B2 Palladium 31-oxo-15- methoxycarbonylmethyl- Rhodobacteriochlorin-131-(2-N3- trimethylammoniumethyl)amide acetate (salt); bacteriochlorophylls free of carbamate group; as photosensitizer for thermodynamic therapy and diagnosis; cancer, age related macular degeneration; killing viruses and bacteria YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-06-26 — — US disclosed
EP-2322173-A1 Cationic bacteriochlorophyll derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2011-05-18 — — EP disclosed
US-20080076748-A1 Catatonic Bacteriochlorophyll Derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-03-27 — — US disclosed
EP-1753457-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO., Ltd. (IL) 2007-02-21 — — EP disclosed
WO-2005120573-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-12-22 — — 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-20080076748-A1 Catatonic Bacteriochlorophyll Derivatives CAT, PPOX, SCLY NPC1 4331/4885RAB9A 4262/4885PKM 1037/4885

“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.

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