SCHEMBL21643747

SCHEMBL21643747

O=C(NO)c1ccc(CNc2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HDAC6 Q9UBN7 16/20 0.54
HDAC1 Q13547 10/20 0.52
HDAC8 Q9BY41 4/20 0.49
HDAC3 O15379 4/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HDAC11 Q96DB2 1/20 0.49
DRD2 P14416 1/20 0.48
TBXA2R P21731 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL21643745 0.84 NPC1 (0.66) HDAC6HDAC1DRD2TBXA2RNPC1
SCHEMBL28806937 0.80 TP53 (0.57) DRD2TBXA2RNPC1RAB9A
SCHEMBL21660693 0.79 TSHR (0.55) TSHRDRD2TBXA2RNPC1RAB9A
SCHEMBL2119872 0.76 HDAC8 (0.46) HDAC6HDAC1HDAC8HDAC3HDAC10
SCHEMBL11707540 0.76 RAB9A (0.69) TSHRNPC1RAB9A
SCHEMBL28809095 0.74 TP53 (0.55) DRD2TBXA2RNPC1RAB9A
SCHEMBL5089620 0.73 RAB9A (0.70) TSHRNPC1RAB9A
SCHEMBL20595491 0.73 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC10
SCHEMBL21660948 0.71 NPC1 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC10
SCHEMBL2302453 0.71 HDAC1 (0.71) HDAC6HDAC1HDAC8HDAC3HDAC10

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 5 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-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
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
CN-110730660-A Nrf and HIF activators/HDAC inhibitors and methods of treatment using the same 伊利诺伊大学评议会 2020-01-24 CN 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 3525/4885HDAC6 35/4885HDAC1 11/4885
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HIF1AN, KEAP1, NFE2L2 TSHR 3525/4885HDAC6 35/4885HDAC1 11/4885

“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.