SCHEMBL3576121

SCHEMBL3576121

CN1Cc2occc2C(Oc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SIRT6 Q8N6T7 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33
LTA4H P09960 1/20 0.33

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
Hydrochloric Acid SCHEMBL2840796 0.85 SLC6A2 (0.41) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL2840317 0.82 VCAM1 (0.38) L3MBTL1POLBALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL2840588 0.81 SLC6A4 (0.35) L3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2842330 0.81 SLC6A2 (0.33)
Hydrochloric Acid SCHEMBL2842444 0.80 ALDH1A1 (0.31) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL2845676 0.80 SLC6A4 (0.36) L3MBTL1ALDH1A1KCNH2
SCHEMBL10956666 0.78 NPC1 (0.42) L3MBTL1NPC1POLBRAB9AALDH1A1
Hydrochloric Acid SCHEMBL2874444 0.78 PARP10 (0.40) ALDH1A1KCNH2KMT2A
Hydrochloric Acid SCHEMBL2839223 0.76 SLC9A3 (0.41) L3MBTL1RAB9AALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL2840918 0.75 SLC6A2 (0.30)

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-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 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 (1 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 L3MBTL1 2724/4885NPC1 1665/4885POLB 3087/4885

“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.