SCHEMBL5582407

SCHEMBL5582407

O=C=Nc1c(I)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 6/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HPRT1 P00492 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PAX8 Q06710 1/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL38584 0.79 TDP1 (0.41) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL29500990 0.79 TDP1 (0.41) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL28080025 0.79 SENP2 (0.44) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL7195938 0.78 THRB (0.54) ALDH1A1TDP1HSD17B10PAX8HPGD
SCHEMBL31148851 0.78 TSHR (0.48) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL1900115 0.78 CYP2A6 (0.48) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL17472993 0.78 TSHR (0.48) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL1897887 0.78 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL3713908 0.76 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10CYP2A6TSHR
SCHEMBL7191223 0.75 POLB (0.40) ALDH1A1TDP1HSD17B10CYP2A6TSHR

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-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-5571779-A SKI WAXES RFC TECHNOLOGY, INC. 1996-11-05 US disclosed
US-5502225-A SKI WAXES DYNAX CORPORATION (US) 1996-03-26 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 (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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 ALDH1A1 3608/4885TDP1 1232/4885HSD17B10 4164/4885

“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.