SCHEMBL1662273

SCHEMBL1662273

Clc1ccc(-c2ccc(Cl)nc2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.73
CYP2A6 P11509 1/20 0.67
NOTUM Q6P988 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ERN1 O75460 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA3 P32297 1/20 0.43
CYP1A2 P05177 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
SCHEMBL1742300 0.89 PIK3CD (0.61) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL2248951 0.87 CYP2A6 (0.67) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL27586878 0.85 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1744354 0.85 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL11160404 0.85 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL11167793 0.85 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL4729780 0.85 PIK3CD (0.69) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1742549 0.85 CYP2A6 (0.64) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1609560 0.82 PIK3CD (0.54) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1742451 0.82 CYP2A6 (1.00) PIK3CDCYP2A6NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
EP-2488544-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION Monash University (AU) 2012-08-22 EP disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 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 (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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 PIK3CD 4838/4885CYP2A6 4329/4885NOTUM 4255/4885

“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.