SCHEMBL27007665

SCHEMBL27007665

Cc1cc(-c2nnc(-c3ccc(N4CCNCC4)cc3)o2)ccc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
ADRB1 P08588 3/20 0.46
HTR7 P34969 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL27007682 0.85 ADRB1 (0.52) MAPKAPK2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27007733 0.82 ADRB1 (0.52) MAPKAPK2ADRB1HTR7KDM4EALDH1A1
SCHEMBL27007614 0.80 CHIA (0.45) KDM4EALDH1A1MAPTHPGDCYP3A4
Hydrochloric Acid SCHEMBL4422799 0.80 ADRB1 (0.51) MAPKAPK2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6984299 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27007913 0.74 CHRNB2 (0.49) MAPKAPK2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1454092 0.73 MAPT (0.64) KDM4EALDH1A1MAPTHPGDCYP3A4
Trifluoroacetic Acid SCHEMBL30745999 0.73 P2RY14 (0.46) MAPKAPK2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6560075 0.72 ADRB1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8229627 0.72 MAPT (0.47) MAPKAPK2ADRB1HTR7ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US 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 (1 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA MAPKAPK2 3261/4885HTR3E 3506/4885HTR3B 2561/4885

“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.