SCHEMBL15725834

SCHEMBL15725834

COc1cc([N+](=O)[O-])ccc1N1CCC(=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 3/20 0.60
HTT P42858 2/20 0.56
SLC6A5 Q9Y345 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 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
SCHEMBL283237 0.89 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1928415 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30306152 0.86 GAA (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3175637 0.86 GAA (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28523902 0.85 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2062270 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28531881 0.84 MAPT (0.61) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29556577 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6606828 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2062084 0.83 SLC6A5 (0.64) ALDH1A1KMT2AMAPTLMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-05-04 US disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 US disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 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 (3 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-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 ALDH1A1 2607/4885KMT2A 361/4885MAPT 2354/4885
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 ALDH1A1 1620/4885KMT2A 587/4885MAPT 1995/4885
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 ALDH1A1 1432/4885KMT2A 546/4885MAPT 1593/4885

“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.