SCHEMBL4871070

SCHEMBL4871070

Cc1c([N+](=O)[O-])ccc(OCCO)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 2/20 0.42
MAPT P10636 6/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 1/20 0.41
MAPK1 P28482 2/20 0.40
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31587965 0.81 PRSS1 (0.42) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL907915 0.80 NPC1 (0.56) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL6237111 0.79 TDP1 (0.50) MAPTKDM4EGAATDP1TSHR
SCHEMBL16861180 0.77 TDP1 (0.50) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL4861669 0.77 KDM4E (0.65) MAPTKDM4EGAATDP1ALDH1A1
SCHEMBL11136715 0.77 PRSS1 (0.54) PRSS1NPC1RAB9ARECQLMAPT
Hydrochloric Acid SCHEMBL10956837 0.76 PRSS1 (0.55) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL11025452 0.75 ALDH1A1 (0.41) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL11025367 0.75 PRSS1 (0.42) PRSS1NPC1RAB9ARECQLMAPT
SCHEMBL1436971 0.74 TDP1 (0.38) PRSS1NPC1RAB9ARECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 US disclosed
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-03-15 US disclosed
US-20040034945-A1 Lightening dye with direct-dyeing colorants WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 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 (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-20040034945-A1 Lightening dye with direct-dyeing colorants KRT18, TUBB1, TUBA1C PRSS1 838/4885NPC1 4500/4885RAB9A 2321/4885
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds KRT18, DSP, TUBA4A PRSS1 1760/4885NPC1 4518/4885RAB9A 3610/4885

“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.