SCHEMBL3890180

SCHEMBL3890180

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 2/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8391027 0.98 CYP2C9 (0.47) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL9176269 0.95 MAPT (0.47) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL12923595 0.95 MAPT (0.45) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL7194575 0.94 MAPT (0.44) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL7186463 0.91 MAPT (0.42) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL9115816 0.91 MAPT (0.42) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL9171441 0.91 MAPT (0.42) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL7185259 0.90 MAPT (0.41) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL10676478 0.90 MAOB (0.47) MAPTSMN1; SMN2NPSR1LMNANPC1
SCHEMBL9114656 0.89 MAPT (0.43) MAPTSMN1; SMN2NPSR1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636363-B2 Halogenated rhodamine derivatives and applications thereof KIADIS PHARMA CANADA INC. (CA) 2017-05-02 US disclosed
US-20140314720-A1 HALOGENATED RHODAMINE DERIVATIVES AND APPLICATIONS THEREOF THERATECHNOLOGIES, INC. (CA) 2014-10-23 US disclosed
US-20090176869-A1 Halogenated Rhodamine Derivatives and Applications Thereof CELMED BIOSCIENCE INC. (CA) 2009-07-09 US disclosed
EP-1765592-B1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-01-28 EP disclosed
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
EP-1614541-A2 Method of making a lithographic printing plate. Agfa-Gevaert (BE) 2006-01-11 EP disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed
US-4139390-A Presensitized printing plate having a print-out image EASTMAN KODAK COMPANY (US) 1979-02-13 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 (2 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-20090176869-A1 Halogenated Rhodamine Derivatives and Applications Thereof H1-10, HRH3, RPLP0 MAPT 4884/4885SMN1; SMN2 4810/4885NPSR1 785/4885
US-20140314720-A1 HALOGENATED RHODAMINE DERIVATIVES AND APPLICATIONS THEREOF RARA, DDC, RARB MAPT 3160/4885SMN1; SMN2 4637/4885NPSR1 3915/4885

“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.