SCHEMBL23926503

SCHEMBL23926503

O=C(O)n1ccc2cc([N+](=O)[O-])cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.47
ENPP1 P22413 4/20 0.47
ALDH1A1 P00352 2/20 0.45
SLC22A12 Q96S37 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
CASP6 P55212 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
KDR P35968 2/20 0.36

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
SCHEMBL22130122 0.80 MAPT (0.42) ENPP3ENPP1ALDH1A1SLC22A12MAPT
SCHEMBL27864136 0.79 ALDH1A1 (0.42) ENPP3ENPP1ALDH1A1TDP1MAPT
SCHEMBL3481893 0.77 ALDH1A1 (0.49) ENPP3ENPP1ALDH1A1MAPTRAB9A
SCHEMBL12413061 0.77 ALDH1A1 (0.49) ENPP3ENPP1ALDH1A1TDP1MAPT
SCHEMBL30123676 0.77 PKM (0.44) ENPP3ENPP1ALDH1A1TDP1MAPT
SCHEMBL28676365 0.75 MAPT (0.41) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL28659326 0.75 PARP1 (0.41) ENPP3ENPP1ALDH1A1SLC22A12KDM4E
SCHEMBL2927570 0.74 SLC6A2 (0.48) ALDH1A1TDP1CYP1A2
SCHEMBL23926485 0.73 ALDH1A1 (0.45) ENPP3ENPP1ALDH1A1MAPTHTT
SCHEMBL23926506 0.73 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 US disclosed
CN-113727972-A Novel hydrazone derivatives in which terminal amino group is substituted with aryl or heteroaryl group, and use thereof 韩国科学技术研究院 2021-11-30 CN disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 EP 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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT ENPP3 2649/4885ENPP1 3601/4885ALDH1A1 402/4885

“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.