SCHEMBL4070449

SCHEMBL4070449

Fc1ccc2nc(CCl)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.66
F10 P00742 1/20 0.55
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PCSK9 Q8NBP7 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
DRD4 P21917 1/20 0.46
RAB9A P51151 1/20 0.46
AMY1A P0DUB6 4/20 0.45
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
CBFB Q13951 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CYP11B1 P15538 1/20 0.44

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
SCHEMBL1083641 0.86 IDO1 (0.49) IDO1F10ALPLALPIALPG
SCHEMBL6640558 0.82 IDO1 (0.66) IDO1F10ALPLALPIALPG
SCHEMBL10271748 0.82 IDO1 (0.66) IDO1F10ALPLALPIALPG
SCHEMBL38661663 0.82 IDO1 (0.76) IDO1F10ALPLALPIALPG
SCHEMBL31345724 0.82 IDO1 (0.66) IDO1F10ALPLALPIALPG
SCHEMBL30040705 0.80 TDP1 (0.72) IDO1F10KDM4EALDH1A1TDP1
SCHEMBL656416 0.80 TDP1 (0.72) IDO1F10KDM4EALDH1A1TDP1
SCHEMBL19383787 0.79 IDO1 (1.00) IDO1F10ALPLALPIALPG
SCHEMBL2145941 0.79 HDAC3 (0.52) KDM4EALDH1A1TDP1RAB9APIK3CD
SCHEMBL18765332 0.79 KMT2A (0.72) KDM4EALDH1A1TDP1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
CN-100430383-C Benzimidazoles useful in the treatment of sexual dysfunction ABBOTT LAB (US) 2008-11-05 CN disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1516693-A Benzimidazoles useful in the treatment of sexual dysfunction ���Ͽع����޹�˾ 2004-07-28 CN disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 IDO1 2001/4885F10 3659/4885ALPL 4872/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 IDO1 1578/4885F10 4022/4885ALPL 4833/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 IDO1 2001/4885F10 3659/4885ALPL 4872/4885

“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.