SCHEMBL3191114

SCHEMBL3191114

Cc1ccc2c(c1)c1c(cnn1CC(=O)NCCNCC1CCCCC1)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 4/20 0.46
PKM P14618 1/20 0.46
HBB P68871 1/20 0.46
THRB P10828 3/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL3191696 0.89 MAPT (0.45) MAPTATMSMN1; SMN2TP53LMNA
SCHEMBL3185759 0.89 MAPT (0.45) MAPTATMSMN1; SMN2TP53LMNA
SCHEMBL3195522 0.89 MAPT (0.45) MAPTATMSMN1; SMN2TP53LMNA
SCHEMBL3178228 0.86 ALDH1A1 (0.43) TSHRMAPTPKMHBBSMN1; SMN2
SCHEMBL3191108 0.85 HBB (0.49) TSHRMAPTPKMHBBTHRB
SCHEMBL3185790 0.85 MAPT (0.43) MAPTTHRBATMSMN1; SMN2LMNA
SCHEMBL3185860 0.84 ATM (0.45) MAPTATMSMN1; SMN2TP53LMNA
SCHEMBL3195461 0.84 ATM (0.45) MAPTATMSMN1; SMN2TP53LMNA
SCHEMBL3190553 0.83 TSHR (0.67) TSHRMAPTPKMHBBTHRB
SCHEMBL3198615 0.83 LMNA (0.49) TSHRMAPTPKMHBBTHRB

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 TSHR 1277/4885MAPT 2809/4885PKM 4050/4885

“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.