SCHEMBL6751983

SCHEMBL6751983

N=C1CCCc2c(N)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 2/20 0.36
CD44 P16070 2/20 0.35
ADRA2A P08913 1/20 0.33
HSD17B10 Q99714 2/20 0.31
BCHE P06276 1/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GID4 Q8IVV7 1/20 0.31
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
IKZF1 Q13422 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
PTPRC P08575 1/20 0.31

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
SCHEMBL12657972 0.76 PARP1 (0.44) PARP1ALDH1A1L3MBTL1BRD4CD44
SCHEMBL14431629 0.76 BCL2L1 (0.48) PARP1ALDH1A1BRD4ADRA2AHSD17B10
SCHEMBL2768935 0.76 PARP1 (0.53) PARP1ALDH1A1L3MBTL1BRD4HSD17B10
SCHEMBL13625677 0.72 PARP1 (0.38) PARP1ALDH1A1BRD4CD44KDM4E
SCHEMBL14128548 0.72 ABCB1 (0.47) BRD4KDM4ELMNAMAPT
SCHEMBL12288819 0.72 PARP1 (0.41) PARP1ALDH1A1L3MBTL1BRD4CD44
Formamide SCHEMBL6754148 0.71 PARP1 (0.47) PARP1BRD4HSD17B10HPGDTSHR
Urea SCHEMBL6754151 0.71 BRD4 (0.48) PARP1ALDH1A1BRD4TSHRPTPRC
SCHEMBL353635 0.70 CD44 (0.53) PARP1ALDH1A1CD44ADRA2AHSD17B10
SCHEMBL29661353 0.70 CD44 (0.53) PARP1ALDH1A1CD44ADRA2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US claimed
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 CN disclosed
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 CN disclosed
US-6706924-B2 INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-6706924-B2 INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP disclosed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US disclosed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US disclosed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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-20020103401-A1 Process for the production of 1,5-naphthalenediamine BBOX1, CYP4B1, NAT1 PARP1 1388/4885ALDH1A1 455/4885L3MBTL1 4585/4885

“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.