SCHEMBL6870872

SCHEMBL6870872

Nc1cccc(N)c1-c1cscc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S100A4 P26447 2/20 0.41
TDP1 Q9NUW8 6/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPRC P08575 1/20 0.38
GPR35 Q9HC97 1/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL5712442 0.89 CSNK2A2 (0.47) PDE7ASMN1; SMN2S100A4TDP1MAPT
SCHEMBL6870619 0.73 ADORA2A (0.39) SMN1; SMN2TDP1MAPTTSHRALDH1A1
SCHEMBL3622560 0.73
SCHEMBL5704924 0.70 ALOX15 (0.57) PDE7ASMN1; SMN2TDP1MAPTKMT2A
SCHEMBL10939656 0.70 TDP1 (0.42) TDP1MAPTKMT2ATSHRMEN1
SCHEMBL8777750 0.69 S100A4 (0.68) PDE7ASMN1; SMN2S100A4TDP1MAPT
SCHEMBL6873294 0.69 PDE7A (0.41) PDE7ASMN1; SMN2S100A4TDP1MAPT
SCHEMBL15741197 0.69 ALDH1A1 (0.46) PDE7ASMN1; SMN2TDP1MAPTTSHR
SCHEMBL6864562 0.68 CYP2A6 (0.50) TDP1TSHRALDH1A1CYP3A4PTPRC
SCHEMBL6873213 0.68 TSHR (0.39) SMN1; SMN2TDP1MAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US disclosed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 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 (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-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B PDE7A 4582/4885SMN1; SMN2 4528/4885S100A4 19/4885

“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.