SCHEMBL3860685

SCHEMBL3860685

O=C(CCl)Nc1c(O)cccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 13/20 0.47
LMNA P02545 6/20 0.47
HTT P42858 7/20 0.47
MITF O75030 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAOB P27338 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
NOD2 Q9HC29 1/20 0.44
TEAD1 P28347 1/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL30040769 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL23932523 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL4901648 0.87 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAHTTMAOB
SCHEMBL11258561 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL7291906 0.79 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL10732738 0.79 RAB9A (0.50) SMN1; SMN2ALDH1A1LMNARAB9AMAOB
SCHEMBL4604147 0.78 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL14172844 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL29678249 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1LMNAHTTMITF
SCHEMBL307790 0.78 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAHTTNPC1

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
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070123543-A1 Novel compounds ASTRAZENECA AB (SE) 2007-05-31 US disclosed
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
EP-1699791-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1699803-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005054249-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-16 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 (6 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-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 SMN1; SMN2 4796/4885ALDH1A1 707/4885LMNA 3640/4885
US-20070123543-A1 Novel compounds C1R, CHRM2, CHRM1 SMN1; SMN2 1879/4885ALDH1A1 1964/4885LMNA 1460/4885
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 SMN1; SMN2 2914/4885ALDH1A1 1306/4885LMNA 2263/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 SMN1; SMN2 4793/4885ALDH1A1 946/4885LMNA 2787/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SMN1; SMN2 4459/4885ALDH1A1 605/4885LMNA 3579/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SMN1; SMN2 3515/4885ALDH1A1 1553/4885LMNA 4195/4885

“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.