SCHEMBL21660693

SCHEMBL21660693

ONC(O)c1ccc(CNc2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 5/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2C9 P11712 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL21643747 0.79 TSHR (0.55) TSHRNPC1RAB9ADRD2TBXA2R
SCHEMBL20715541 0.70 RAB9A (0.77) TSHRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4930362 0.69 MAT2A (0.57) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11898237 0.69 LMNA (0.64) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL1170145 0.68 SMN1; SMN2 (0.48) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28806937 0.67 TP53 (0.57) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL20715689 0.66 MAPT (0.76) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5928731 0.66 TSHR (0.60) TSHRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1170660 0.66 ALDH1A1 (0.86) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL28809095 0.66 TP53 (0.55) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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-10934255-B2 Nrf and HIF activators/HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-02 US disclosed
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-02-06 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 (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-10934255-B2 Nrf and HIF activators/HDAC inhibitors and therapeutic methods using the same HIF1AN, KEAP1, NFE2L2 TSHR 3525/4885CYP1A2 3324/4885CYP3A4 3970/4885
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HIF1AN, KEAP1, NFE2L2 TSHR 3525/4885CYP1A2 3324/4885CYP3A4 3970/4885

“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.