SCHEMBL3108008

SCHEMBL3108008

CC(=O)Nc1cc(Cl)ccc1C(=O)N1CC(O)C(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL13604137 1.00 POLB (0.43) POLBKMT2AALDH1A1TSHRLMNA
SCHEMBL13157809 1.00 POLB (0.43) POLBKMT2AALDH1A1TSHRLMNA
SCHEMBL13157822 0.92 ALDH1A1 (0.47) POLBKMT2AALDH1A1TSHRLMNA
SCHEMBL13157817 0.89 NPSR1 (0.53) POLBKMT2AALDH1A1TSHRLMNA
SCHEMBL3099912 0.89 NPSR1 (0.53) POLBKMT2AALDH1A1TSHRLMNA
SCHEMBL3105108 0.88 CHRM2 (0.45) POLBKMT2AMAPTUBE2MDCUN1D1
SCHEMBL13157966 0.88 CHRM2 (0.45) POLBKMT2AMAPTUBE2MDCUN1D1
SCHEMBL13157828 0.85 TP53BP1 (0.52) KMT2AALDH1A1LMNAMAPTKDM4E
SCHEMBL13157806 0.85 L3MBTL1 (0.47) ALDH1A1MAPT
SCHEMBL13604134 0.85 L3MBTL1 (0.47) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 POLB 3618/4885KMT2A 4425/4885ALDH1A1 1889/4885

“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.