SCHEMBL5894683

SCHEMBL5894683

Nc1cc2ccccc2[n+]([O-])c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.61
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CASP6 P55212 1/20 0.35
IDO1 P14902 1/20 0.34
BCL2 P10415 1/20 0.33
CYP3A4 P08684 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32
KEAP1 Q14145 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL3084819 0.77 ATM (1.00) ATMNPC1RAB9APOLBMEN1
SCHEMBL8682634 0.76 ATM (0.52) ATMNPC1RAB9APOLBSMN1; SMN2
SCHEMBL8543490 0.74 IDO1 (0.51) ATMNPC1RAB9APOLBMEN1
SCHEMBL22326431 0.71 ATM (0.61) ATMNPC1RAB9APOLBSMN1; SMN2
SCHEMBL17141400 0.71 ATM (0.55) ATMNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3626218 0.70 ATM (0.54) ATMNPC1RAB9A
SCHEMBL17141401 0.69 ATM (0.52) ATMNPC1RAB9APOLBMEN1
SCHEMBL17141397 0.67 ATM (0.61) ATMNPC1RAB9APOLBMEN1
SCHEMBL5894181 0.67 ATM (0.40) ATMNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7479947 0.67 ATM (0.50) ATMNPC1RAB9APOLBSMN1; SMN2

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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 ATM 3130/4885NPC1 4475/4885RAB9A 3802/4885

“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.