SCHEMBL4543383

SCHEMBL4543383

O=[N+]([O-])c1ccccc1C1=NCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 7/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40

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
SCHEMBL7967638 0.91 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1GAAMGAM
SCHEMBL8563304 0.80 HTT (0.39) ALDH1A1GAAMAPTKMT2ARAB9A
SCHEMBL11065091 0.79 HTR6 (0.37) ALDH1A1TDP1MAPTKMT2ANPC1
SCHEMBL218213 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL29420719 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8564839 0.77 CYP1A2 (0.37) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL8922899 0.77 CYP1A2 (0.46) ALDH1A1TDP1L3MBTL1GAAMAPT
SCHEMBL10605992 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL381604 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8567837 0.73 KMT2A (0.40) ALDH1A1TDP1L3MBTL1MAPTKMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185571-B1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIV OF KWAZULU NATAL (ZA) 2026-05-20 EP claimed
US-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols UNIVERSITY OF KWAZULU-NATAL (ZA) 2025-10-14 US claimed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US claimed
EP-4185571-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University Of Kwazulu-Natal (ZA) 2023-05-31 EP claimed
EP-4185571-B1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIV OF KWAZULU NATAL (ZA) 2026-05-20 EP disclosed
US-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols UNIVERSITY OF KWAZULU-NATAL (ZA) 2025-10-14 US disclosed
EP-4556468-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University of KwaZulu-Natal (ZA) 2025-05-21 EP disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
EP-4185571-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS University Of Kwazulu-Natal (ZA) 2023-05-31 EP disclosed
CN-101712656-A Oxazoline schiff base ligands and preparation method thereof BEIJING INST TECHNOLOGY 2010-05-26 CN disclosed
WO-2003016304-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 EP disclosed
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 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 (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-12441721-B2 Synthesis of heterocyclic compounds from carboxamide and carboxamide derivatives with haloalkanols NAAA, CNR2, AADAC ALDH1A1 627/4885TDP1 2300/4885L3MBTL1 4591/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC ALDH1A1 627/4885TDP1 2300/4885L3MBTL1 4591/4885

“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.