SCHEMBL3591235

SCHEMBL3591235

Cc1nc2c(Cl)cccc2n1CC(=O)NCCNCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MDM2 Q00987 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
IL1B P01584 2/20 0.39
P2RX7 Q99572 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL3598193 0.84 LMNA (0.57) LMNAHTTSMN1; SMN2ALDH1A1HDAC6
SCHEMBL3591240 0.83 TSHR (0.41) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL3589932 0.78 LMNA (0.47) LMNAHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL3599795 0.75 HDAC6 (0.47) SMN1; SMN2RAB9AALDH1A1HDAC6TSHR
SCHEMBL3587773 0.74 ALDH1A1 (0.50) HTTSMN1; SMN2ALDH1A1RECQLHDAC6
SCHEMBL3608186 0.74 KDM4E (0.54) LMNAHTTSMN1; SMN2ALDH1A1HDAC6
SCHEMBL3595689 0.73 ALDH1A1 (0.51) LMNAHTTSMN1; SMN2ALDH1A1HDAC6
SCHEMBL3598310 0.71 NPC1 (0.46) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL3591259 0.71 MAPK1 (0.47) LMNASMN1; SMN2RAB9AHDAC6TSHR
SCHEMBL3591604 0.71 RAB9A (0.44) LMNAHTTSMN1; SMN2RAB9AALDH1A1

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 LMNA 4638/4885HTT 1553/4885SMN1; SMN2 4228/4885

“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.