SCHEMBL22904331

SCHEMBL22904331

O=C1c2ccccc2C(=O)N1CCCCNCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
ACHE P22303 11/20 0.63
CHRM2 P08172 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL16741961 0.81 CHRM2 (0.92) KDM4ECYP1A2CHRM2MEN1ALDH1A1
SCHEMBL29263618 0.80 HSD17B10 (0.77) KDM4ECYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL24143750 0.80 KDM4E (0.54) KDM4ECYP1A2CYP3A4CYP2C9ACHE
SCHEMBL30373907 0.80 KDM4E (0.54) KDM4ECYP1A2CYP3A4CYP2C9ACHE
SCHEMBL4651676 0.80 HSD17B10 (0.82) KDM4ECYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL7946668 0.78 ACHE (0.74) ACHE
SCHEMBL9827604 0.77 ACHE (0.69) ACHE
SCHEMBL9777421 0.77 CHRM2 (0.93) KDM4ECYP1A2CHRM2MEN1ALDH1A1
SCHEMBL6231722 0.77 CHRM2 (0.85) KDM4ECYP1A2CHRM2MEN1ALDH1A1
SCHEMBL3281437 0.76 HSD17B10 (1.00) KDM4ECYP1A2CYP3A4CYP2C9HSD17B10

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-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-20210017178-A1 Pan-Tropic Entry nhibitors UNIV EMORY (US) 2021-01-21 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 (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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 KDM4E 4585/4885CYP1A2 4527/4885CYP3A4 3783/4885
US-20210017178-A1 Pan-Tropic Entry nhibitors CXCR4, CXCL12, CCR5 KDM4E 4254/4885CYP1A2 4559/4885CYP3A4 4089/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 KDM4E 4477/4885CYP1A2 4638/4885CYP3A4 4170/4885

“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.