SCHEMBL21643745

SCHEMBL21643745

Cn1c(NCc2ccc(C(=O)NO)cc2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
KMT2A Q03164 1/20 0.64
MAPK1 P28482 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HDAC6 Q9UBN7 8/20 0.58
HDAC1 Q13547 3/20 0.58
ALOX15 P16050 1/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 1/20 0.54
DRD2 P14416 1/20 0.54
TBXA2R P21731 1/20 0.54
ALPL P05186 1/20 0.53
ALPG P10696 1/20 0.53

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
SCHEMBL21643773 0.85 DRD2 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL21643747 0.84 TSHR (0.55) NPC1RAB9AHDAC6HDAC1DRD2
SCHEMBL21643752 0.83 HDAC6 (0.57) NPC1RAB9ASMN1; SMN2KMT2AHDAC6
SCHEMBL21660948 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2AHDAC6
SCHEMBL4980057 0.83 HDAC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2AHDAC6
SCHEMBL21660946 0.82 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AHDAC6
SCHEMBL2727856 0.81 HDAC6 (0.73) NPC1RAB9AHDAC6HDAC1
SCHEMBL4983837 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AHDAC1
SCHEMBL20715541 0.78 RAB9A (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL5944072 0.76 HDAC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2ANPSR1

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 4 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

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 NPC1 1029/4885RAB9A 2126/4885SMN1; SMN2 392/4885
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HIF1AN, KEAP1, NFE2L2 NPC1 1029/4885RAB9A 2126/4885SMN1; SMN2 392/4885

“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.