SCHEMBL23133333

SCHEMBL23133333

COc1cc(SC)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
G6PD P11413 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL8535790 0.85 ALDH1A1 (0.46) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL29661436 0.83 ALDH1A1 (0.50) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL517768 0.83 ALDH1A1 (0.50) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL30954094 0.81 ALDH1A1 (0.48) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL6371735 0.81 ALDH1A1 (0.48) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL23133330 0.81 ALDH1A1 (0.43) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL310903 0.80 MAPT (0.45) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL26353037 0.79 MAPT (0.46) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL19927661 0.78 ALDH1A1 (0.46) TDP1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL31757016 0.78 ALDH1A1 (0.51) TDP1ALDH1A1KDM4EMAPTCYP3A4

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-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB TDP1 1777/4885ALDH1A1 4296/4885KDM4E 1897/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG TDP1 1942/4885ALDH1A1 4076/4885KDM4E 1951/4885

“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.