SCHEMBL1894089

SCHEMBL1894089

C1CCNNCCNCCNC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
PDE4A P27815 1/20 0.46
KDR P35968 1/20 0.46
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL18279383 1.00
SCHEMBL23748236 0.96 ALDH1A1 (0.64) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL30338212 0.92 CXCR4 (0.69) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL20523496 0.92
SCHEMBL27902303 0.92 CXCR4 (0.69) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL472205 0.88 CXCR4 (0.75) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
Piperazine SCHEMBL5730316 0.88 ALDH1A1 (0.61) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
Piperazine SCHEMBL28322579 0.84 CXCR4 (0.67) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL22582300 0.84 CXCR4 (0.67) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL796635 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137335-A2 METHODS FOR TREATING CD33-POSITIVE HEMATOLOGICAL MALIGNANCIES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-07-20 WO claimed
US-20160356796-A1 IRON (II) ION DETECTION AGENT AND DETECTION METHOD USING THE SAME METALLOGENICS CO., LTD. (JP) 2016-12-08 US claimed
WO-2023137335-A2 METHODS FOR TREATING CD33-POSITIVE HEMATOLOGICAL MALIGNANCIES ACTINIUM PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
US-20110110866-A1 Elastin-like polypeptide and gadolinium conjugate for magnetic resonance imaging DUKE UNIVERSITY (US) 2011-05-12 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-20110110866-A1 Elastin-like polypeptide and gadolinium conjugate for magnetic resonance imaging ELANE, ENPEP, ERMP1 CXCR4 1908/4885SMN1; SMN2 963/4885ALDH1A1 3785/4885

“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.