SCHEMBL4887842

SCHEMBL4887842

CC1N(C)c2ccccc2C1(C)C.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
KDM4A O75164 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL11786568 0.87 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
Sulfuric Acid SCHEMBL5406403 0.86 KMT2A (0.46) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
Sulfuric Acid SCHEMBL5406406 0.86 KMT2A (0.48) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
Sulfuric Acid SCHEMBL5413355 0.86 KMT2A (0.48) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
Sulfuric Acid SCHEMBL5413351 0.86 KMT2A (0.48) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
SCHEMBL5712057 0.84 MEN1 (0.50) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL11790172 0.81 KMT2A (0.44) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
SCHEMBL5398797 0.81 MEN1 (0.44) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL3144433 0.80 KMT2A (0.47) SMN1; SMN2MAPTMEN1KMT2ACYP2D6
Bromide SCHEMBL5405629 0.78 KMT2A (0.46) SMN1; SMN2MAPTMEN1KMT2ACYP2D6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1575540-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058200-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-7354694-B1 Styryl dye KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUKO (JP) 2008-04-08 US disclosed
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP disclosed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP disclosed
US-20050240019-A1 Styryl dyes KABAYUSHI KAISHI HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-10-27 US disclosed
EP-1575540-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP disclosed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
EP-1149873-A9 STYRYL DYE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2002-03-13 EP disclosed
EP-1149873-A1 STYRYL DYE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2001-10-31 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 (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-20050240019-A1 Styryl dyes SMYD2, ALDH1A2, ALKBH2 SMN1; SMN2 2238/4885MAPT 963/4885MEN1 1875/4885

“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.