SCHEMBL600018

SCHEMBL600018

Nc1nncc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
GOT1 P17174 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.57
MPO P05164 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PKM P14618 1/20 0.57
MAOA P21397 1/20 0.57
PTGS1 P23219 1/20 0.57
THPO P40225 1/20 0.57
AOX1 Q06278 1/20 0.57
ACOX1 Q15067 1/20 0.57
MAPT P10636 2/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL29560277 1.00 KDM4E (0.57) KDM4ETP53CYP3A4GOT1SMN1; SMN2
Formic Acid SCHEMBL30493146 0.89 KDM4E (0.47) KDM4ETP53CYP3A4GOT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL29015415 0.83 C1S (0.62) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL1673296 0.76 KDM4E (0.55) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL30523852 0.76 KDM4E (0.55) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL30493103 0.76 MEN1 (0.41) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL17295055 0.74 NPC1 (0.53) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL29559673 0.74 LMNA (0.47) KDM4ECYP3A4LMNAALDH1A1CYP1A2
SCHEMBL29560021 0.74 KDM4E (0.43) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL18630480 0.73 KDM4E (0.52) KDM4ETP53CYP3A4GOT1SMN1; 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 642 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285947-A Low-temperature curing polyimide precursor solution and preparation method thereof 北京化工大学常州先进材料研究院 2025-01-10 CN claimed
US-20240158396-A1 COMPOUNDS FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-05-16 US claimed
CN-113559264-A Methods of treating microbial infections including mastitis 罗达制药公司 2021-10-29 CN claimed
CN-113144197-A Method of treating topical microbial infections 罗达制药公司 2021-07-23 CN claimed
CN-106659765-A Use of dianhydrogalactitol and analogs or derivatives thereof to treat non-small-cell carcinoma of the lung and ovarian cancer 德玛医药 2017-05-10 CN claimed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP claimed
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 CN claimed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP claimed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO claimed
CN-101077865-A Phthalazines derivatives, preparation method thereof, medicament composition and use INST MATERIA MEDICA CAMS (CN) 2007-11-28 CN claimed
US-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION. 2001-11-01 US claimed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN claimed
US-6114530-A ISOQUIOLINAMINES AND PHTHALAZINAMINES USEFUL IN TREATING STRESS RELATED DISORDERES SUCH AS POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-09-05 US claimed
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
EP-0946520-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1999-10-06 EP claimed
CN-1225586-A Remedy for erection failure comprising fused pyridazine compound EISAI CO LTD (JP) 1999-08-11 CN claimed
WO-1998027066-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1998-06-25 WO claimed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US claimed
EP-0346511-A1 Oxygen-containing hererocyclic compound, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP claimed

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-20240158396-A1 COMPOUNDS FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, PYCARD KDM4E 4294/4885TP53 1053/4885CYP3A4 4080/4885
US-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands CRHR1, CRH, CRHR2 KDM4E 4631/4885TP53 4210/4885CYP3A4 3162/4885

“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.