SCHEMBL17708397

SCHEMBL17708397

Cc1cccc(-n2nnnc2SCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 5/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 3/20 0.57
PKM P14618 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TP53 P04637 4/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.49
POLB P06746 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL17708117 0.83 TP53 (0.49) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL14606116 0.82 ALDH1A1 (0.60) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL1612844 0.82 POLB (0.73) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL17708386 0.80 ALDH1A1 (0.52) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL15337450 0.80 SMN1; SMN2 (0.70) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL17708393 0.78 ALDH1A1 (0.65) ALDH1A1LMNATSHRPKMHTT
SCHEMBL5593134 0.77 ALDH1A1 (0.77) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL15337452 0.76 ALDH1A1 (0.48) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL7924146 0.76 ALDH1A1 (0.63) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL14605811 0.75 MAPT (0.67) ALDH1A1TDP1LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 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-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TDP1 754/4885LMNA 892/4885

“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.