SCHEMBL3753095

SCHEMBL3753095

CNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.71
KMT2A Q03164 6/20 0.66
RIPK1 Q13546 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HTT P42858 1/20 0.66
MEN1 O00255 5/20 0.63
PKM P14618 1/20 0.63
POLB P06746 1/20 0.63
STAT1 P42224 1/20 0.63
NPC1 O15118 3/20 0.62
ALDH1A1 P00352 5/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PDK1 Q15118 1/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 2/20 0.60
PTPN1 P18031 1/20 0.60
MCL1 Q07820 1/20 0.60
ACP1 P24666 1/20 0.60

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
SCHEMBL1066924 0.88 RIPK1 (0.66) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL28878443 0.85 DYRK1A (0.67) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL29974725 0.85 DYRK1A (0.67) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL2116582 0.85 DYRK1A (0.67) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL23510629 0.84 DYRK1A (0.66) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL3924050 0.83 DYRK1A (1.00) DYRK1AKMT2ASMN1; SMN2MEN1POLB
SCHEMBL11157181 0.82 DYRK1A (0.64) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL16732745 0.81 DYRK1A (0.78) DYRK1AKMT2ASMN1; SMN2HTTMEN1
SCHEMBL31527831 0.81 DYRK1A (0.62) DYRK1AKMT2ARIPK1SMN1; SMN2HTT
SCHEMBL3749121 0.81 RIPK1 (0.68) DYRK1AKMT2ARIPK1SMN1; SMN2HTT

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 18 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
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 CN 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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 WO disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (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-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 DYRK1A 1279/4885KMT2A 1604/4885RIPK1 2670/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R DYRK1A 838/4885KMT2A 1012/4885RIPK1 3842/4885
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 DYRK1A 3095/4885KMT2A 342/4885RIPK1 4172/4885

“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.