SCHEMBL2487986

SCHEMBL2487986

Clc1ccc2c(NCCCN3CCN(c4ccc(-c5ccccc5)cc4)CC3)ccnc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.68
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL2485055 0.94 HRH3 (0.73) HRH3MEN1KMT2A
SCHEMBL2491157 0.93 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL2488597 0.92 HRH3 (0.76) HRH3MEN1KMT2A
SCHEMBL2491246 0.88 HRH3 (0.70) HRH3MEN1KMT2A
SCHEMBL2486143 0.88 HRH3 (0.70) HRH3MEN1KMT2A
SCHEMBL2489051 0.88 HRH3 (0.70) HRH3MEN1KMT2A
SCHEMBL2487947 0.88 HRH3 (0.73) HRH3MEN1KMT2A
SCHEMBL2485822 0.87 HRH3 (0.72) HRH3MEN1KMT2A
SCHEMBL2488407 0.87 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL2443281 0.87 HRH3 (0.88) HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379505-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY Designmedix, Inc. (US) 2011-10-26 EP claimed
WO-2010065932-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO claimed
US-8658648-B2 Modified chloroquines with single ring moiety or fused ring moiety DESIGNMEDIX, INC. (US) 2014-02-25 US disclosed
EP-2379505-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY Designmedix, Inc. (US) 2011-10-26 EP disclosed
US-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY PORTLAND STATE UNIVERSITY (US) 2011-10-13 US disclosed
WO-2010065932-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO 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-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY QARS1, MAVS, QDPR HRH3 831/4885MEN1 3619/4885KMT2A 1757/4885

“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.