SCHEMBL5693000

SCHEMBL5693000

Nc1cccc(NCc2cc(Cl)cs2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 2/20 0.37
DDX3X O00571 1/20 0.37
SIRT7 Q9NRC8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCD O00767 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAOB P27338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
RAPGEF4 Q8WZA2 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
SCHEMBL6298696 0.83 NPC1 (0.38) BACE1MEN1KMT2AALDH1A1GFER
SCHEMBL5693368 0.82 RAPGEF4 (0.43) BACE1MEN1KMT2AALDH1A1GAA
SCHEMBL5692977 0.77 MEN1 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL1417373 0.76 L3MBTL1 (0.54) MEN1KMT2AALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL456056 0.75 KDM4E (0.55) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL5692943 0.73 CD38 (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5693381 0.71 PRMT6 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11248387 0.70 MAOA (0.48) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5692951 0.69 NPC1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11480561 0.69 POLB (0.45) ALDH1A1TDP1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280791-B1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AG (DE) 2006-05-03 EP disclosed
US-6997961-B2 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives WELLA AG (DE) 2006-02-14 US disclosed
US-20050081310-A1 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US disclosed
EP-1280791-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2002072568-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 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-20050081310-A1 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives KRT18, VIM, KPNB1 BACE1 4344/4885MEN1 3323/4885KMT2A 752/4885

“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.