SCHEMBL916593

SCHEMBL916593

Cc1sc(-c2cccs2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
RAB9A P51151 3/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LTA4H P09960 1/20 0.38
DPP4 P27487 4/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38

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
SCHEMBL4627777 0.81 HCAR3 (0.32)
SCHEMBL14832687 0.80 HDAC1 (0.41) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL23947762 0.80 ALDH1A1 (0.42) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL1629985 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL4463311 0.77 HDAC1 (0.39) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL14833015 0.77 KDM4E (0.43) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL14832748 0.76 NPC1 (0.38) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL14833011 0.73 KDM4E (0.35) KDM4EMAPTALDH1A1
SCHEMBL22734817 0.72 KDM4E (0.42) KDM4EMAPTALDH1A1NPC1LMNA
SCHEMBL917524 0.72 NPC1 (0.37) KDM4EMAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450503-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2013-05-28 US disclosed
US-8450503-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2013-05-28 US disclosed
US-8450503-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2013-05-28 US disclosed
US-20110003966-A1 PHOTOCHROMIC AND ELETROCHROMIC COMPOUNDS AND METHODS OF SYNTHESIZING AND USING SAME SWITCH MATERIALS INC. (CA) 2011-01-06 US disclosed
US-20110003966-A1 PHOTOCHROMIC AND ELETROCHROMIC COMPOUNDS AND METHODS OF SYNTHESIZING AND USING SAME SWITCH MATERIALS INC. (CA) 2011-01-06 US disclosed
US-20110003966-A1 PHOTOCHROMIC AND ELETROCHROMIC COMPOUNDS AND METHODS OF SYNTHESIZING AND USING SAME SWITCH MATERIALS INC. (CA) 2011-01-06 US disclosed
US-7777055-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2010-08-17 US disclosed
US-7777055-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2010-08-17 US disclosed
US-7777055-B2 Photochromic and electrochromic compounds and methods of synthesizing and using same SWITCH MATERIALS INC. (CA) 2010-08-17 US disclosed
US-20060240197-A1 Photochromic and electrochromic compounds and methods of synthesizing and using same SOLUTIA CANADA INC. (CA) 2006-10-26 US disclosed
EP-0698605-B1 Thiophene derivatives and polymers thereof JAPAN RES DEV CORP (JP) 2001-11-21 EP disclosed
US-5734065-A Thiophene derivative and the polymer thereof and methods for production thereof RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-03-31 US disclosed
EP-0698605-A1 Thiophene derivatives and polymers thereof RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-02-28 EP 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-20060240197-A1 Photochromic and electrochromic compounds and methods of synthesizing and using same TET1, HMBS, MECP2 KDM4E 2521/4885MAPT 62/4885ALDH1A1 1393/4885
US-20110003966-A1 PHOTOCHROMIC AND ELETROCHROMIC COMPOUNDS AND METHODS OF SYNTHESIZING AND USING SAME TET1, MECP2, EYA2 KDM4E 2641/4885MAPT 21/4885ALDH1A1 2252/4885

“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.