SCHEMBL22130263

SCHEMBL22130263

O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cnccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
MCL1 Q07820 1/20 0.69
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 3/20 0.66
HTT P42858 2/20 0.66
TP53 P04637 2/20 0.66
MEN1 O00255 2/20 0.66
USP2 O75604 1/20 0.66
PKM P14618 1/20 0.65
KDM4E B2RXH2 1/20 0.63
GLA P06280 1/20 0.63
DYRK1A Q13627 1/20 0.63
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
RXFP1 Q9HBX9 1/20 0.60
MMP13 P45452 1/20 0.59
CACNA1B Q00975 1/20 0.58

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
SCHEMBL31219300 1.00 NPC1 (0.69) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL23926496 0.91 NPC1 (0.65) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL31219224 0.91 NPC1 (0.65) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL31219382 0.85 MAPT (0.66) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL23926470 0.85 MAPT (0.66) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL31219253 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL22130268 0.84 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL23926482 0.84 NPC1 (0.65) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL15701277 0.83 NPC1 (0.64) NPC1RAB9AMCL1MAPTSMN1; SMN2
SCHEMBL2190163 0.83 RAB9A (0.76) NPC1RAB9AMCL1MAPTSMN1; 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 5 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
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
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 NPC1 1264/4885RAB9A 1131/4885MCL1 1540/4885
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 NPC1 3755/4885RAB9A 2732/4885MCL1 2142/4885

“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.