SCHEMBL1677019

SCHEMBL1677019

Clc1ccc(-c2c[nH]c(CCCc3ccc(I)cc3)n2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.38
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
LMNA P02545 1/20 0.34
ALPL P05186 6/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL3289934 0.86 CXCR2 (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL1676226 0.85 CXCR2 (0.47) CXCR2HSP90AA1HSP90AB1LMNAL3MBTL1
SCHEMBL2867224 0.78 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL31305442 0.78 CXCR2 (0.43) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL31376139 0.78 ALPL (0.43) HSP90AA1HSP90AB1LMNAALPLSMN1; SMN2
SCHEMBL1676901 0.77 EGFR (0.41) CXCR2HSP90AA1HSP90AB1NPC1CYP1A2
SCHEMBL1480745 0.77 CXCR2 (0.49) CXCR2HSP90AA1HSP90AB1LMNAL3MBTL1
SCHEMBL31305465 0.74 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL26111159 0.74 ADORA2A (0.40) CXCR2HSP90AA1HSP90AB1LMNAALPL
SCHEMBL26111366 0.74 HSP90AA1 (0.41) CXCR2HSP90AA1HSP90AB1LMNAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE CXCR2 2502/4885HSP90AA1 3076/4885HSP90AB1 2732/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CXCR2 2502/4885HSP90AA1 3076/4885HSP90AB1 2732/4885

“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.