SCHEMBL21643752

SCHEMBL21643752

Cn1c(NCc2ccc(C(=O)NO)cc2)nc2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC1 Q13547 8/20 0.53
HDAC8 Q9BY41 5/20 0.50
HDAC3 O15379 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL21660948 0.91 NPC1 (0.56) HDAC6NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL21660946 0.84 ALDH1A1 (0.58) HDAC6NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL21643745 0.83 NPC1 (0.66) HDAC6NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2117506 0.81 CYP3A4 (0.53) HDAC6NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2611323 0.81 HDAC6 (0.55) HDAC6NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20547965 0.81 HDAC1 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL14263316 0.76 NPC1 (0.67) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12412028 0.75 NPC1 (0.63) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4980463 0.74 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL19058676 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2

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 HDAC6 35/4885NPC1 1029/4885RAB9A 2126/4885
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HIF1AN, KEAP1, NFE2L2 HDAC6 35/4885NPC1 1029/4885RAB9A 2126/4885

“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.