SCHEMBL3591604

SCHEMBL3591604

O=C(Cn1nc(Cl)c2ccccc21)NCCNCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.44
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX7 Q99572 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3591259 0.87 MAPK1 (0.47) RAB9ALMNASMN1; SMN2CHRNA7TSHR
SCHEMBL3591234 0.85 P2RX7 (0.45) RAB9AHTTMAPTMITFALDH1A1
SCHEMBL3599795 0.81 HDAC6 (0.47) RAB9AALDH1A1SMN1; SMN2TSHRP2RX7
SCHEMBL3591608 0.81 BCHE (0.43) MAPTSMN1; SMN2CHRNA7MEN1TSHR
SCHEMBL3607944 0.79 HTT (0.50) RAB9AHTTMAPTMITFALDH1A1
SCHEMBL3600244 0.78 GAA (0.58) RAB9AHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL3602594 0.78 TSHR (0.57) RAB9AHTTMAPTMITFALDH1A1
SCHEMBL3589932 0.77 LMNA (0.47) RAB9AHTTMAPTALDH1A1LMNA
SCHEMBL3200380 0.74 LMNA (0.45) RAB9AHTTMAPTMITFALDH1A1
SCHEMBL3198672 0.73 ATM (0.49) RAB9AHTTMAPTMITFALDH1A1

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 RAB9A 602/4885HTT 1553/4885MAPT 2809/4885

“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.