SCHEMBL19175047

SCHEMBL19175047

Cc1ccc(COC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HTT P42858 2/20 0.44
▸ P2RX3 P56373 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ CES2 O00748 1/20 0.40

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
SCHEMBL7521315 0.85 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL28762606 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL14662012 0.82 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL10819595 0.80 GPR35 (0.47) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL7521309 0.80 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL14661914 0.79 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL17704660 0.78 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL3252445 0.77 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL8295810 0.76 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL14944888 0.76 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLHTT

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-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
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 — — WO 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 ALDH1A1 4296/4885TSHR 4197/4885CYP3A4 3336/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ALDH1A1 4076/4885TSHR 4145/4885CYP3A4 3725/4885

“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.

Send feedback