SCHEMBL5570993

SCHEMBL5570993

Nc1cccc(O)c1NCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
CA2 P00918 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CA1 P00915 2/20 0.33
MMP2 P08253 2/20 0.33
EGFR P00533 2/20 0.33
LMNA P02545 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
RECQL P46063 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP8 P22894 1/20 0.33
CA6 P23280 1/20 0.33
CDK2 P24941 1/20 0.33
MMP12 P39900 1/20 0.33
ADAMTS5 Q9UNA0 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
SCHEMBL20810767 0.79 IDO1 (0.42) ALOX15TSHRALDH1A1HPGDHSD17B10
SCHEMBL22580949 0.77 CA2 (0.41) ALOX15TSHRALDH1A1TDP1CA2
SCHEMBL4964367 0.74 ALOX15 (0.48) ALOX15TSHRALDH1A1TDP1CA2
SCHEMBL6741742 0.72 PLAU (0.38) ALOX15TSHRALDH1A1TDP1CA2
SCHEMBL3666211 0.70 POLB (0.46) ALOX15TSHRALDH1A1TDP1HPGD
SCHEMBL7254610 0.69 TSHR (0.43) ALOX15TSHRCA2HPGDHSD17B10
SCHEMBL7250609 0.69 TSHR (0.43) ALOX15TSHRALDH1A1CA2HPGD
SCHEMBL7083086 0.69 CXCR2 (0.49) ALOX15TSHRALDH1A1TDP1HPGD
SCHEMBL7251745 0.69 ALDH1A1 (0.38) ALOX15TSHRALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL9012929 0.68 KDM4E (0.44) TSHRALDH1A1TDP1HPGDHSD17B10

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-7258702-B2 Yellow cationic dyes for dyeing of organic material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-08-21 US disclosed
US-20050000034-A1 Yellow cationic dyes for dyeing of organic material CIBA SPECIALTY CHEMICALS CORPORATION 2005-01-06 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-20050000034-A1 Yellow cationic dyes for dyeing of organic material KRT18, PYCR1, CYC1 ALOX15 2719/4885TSHR 2334/4885ALDH1A1 3276/4885

“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.