SCHEMBL22130321

SCHEMBL22130321

Cc1cc([N+](=O)[O-])ccc1-c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TSHR P16473 3/20 0.55
MAPT P10636 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 1/20 0.51
TLR9 Q9NR96 1/20 0.51
NPC1 O15118 2/20 0.47
MCL1 Q07820 2/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NPBWR1 P48145 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL28650535 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL14154089 0.90 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL23926509 0.86 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL9807396 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRRAB9A
SCHEMBL3828843 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL7112609 0.83 PTGS2 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL12797359 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL30683694 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL10711868 0.81 TDP1 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
Hydrochloric Acid SCHEMBL6573124 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRMAPT

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-12590071-B2 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) 2026-03-31 US disclosed
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
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
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO 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-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 ALDH1A1 1008/4885CYP3A4 27/4885TDP1 2058/4885
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 ALDH1A1 402/4885CYP3A4 215/4885TDP1 2852/4885

“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.